3-chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;methane;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane — IUPAC name, SMILES, InChIKey & properties

Name: 3-chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;methane;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 3-chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;methane;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane

3-chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;methane;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane (PubChem CID 158547740) has the molecular formula C124H212ClF2N9O5S and a molecular weight of 2014.63 g/mol. Its IUPAC name is 3-chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;methane;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane.

Molecular Properties

Compound Name	3-chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;methane;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane
PubChem CID	158547740
Molecular Formula	C124H212ClF2N9O5S
Molecular Weight	2014.63 g/mol
Exact Mass	2012.60
IUPAC Name	3-chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;methane;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane
SMILES	C.C.C.C.C.C.C.C.C.C.CC(=O)C(C)C.CC(C)C(C)(C)C.CC(C)C(C)(C)O.CC(C)c1ccc(F)cc1F.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1ncccc1Cl.CC(C)c1ncccn1.COc1ccccc1C(C)C.Cc1ccc(C(C)C)o1.Cc1cccc(C(C)C)n1
InChI	InChI=1S/C10H14O.C9H10F2.C9H13N.C8H10ClN.3C8H11N.C8H12O.2C7H10N2.C7H10O.C7H10S.C7H16.C6H14O.C5H10O.10CH4/c1-8(2)9-6-4-5-7-10(9)11-3;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-5-4-7(3)9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;21-6(2)7-4-3-5-8-7;1-6(2)7(3,4)5;1-5(2)6(3,4)7;1-4(2)5(3)6;;;;;;;;;;/h4-8H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;33-7H,1-2H3;4-6H,1-3H3;23-6H,1-2H3;23-6H,1-2H3;6H,1-5H3;5,7H,1-4H3;4H,1-3H3;10*1H4
InChIKey	HPIHZNUSEKPXLH-UHFFFAOYSA-N
XLogP	40.77
TPSA	188.82 Å²
H-Bond Donors	1
H-Bond Acceptors	15
Rotatable Bonds	15
Heavy Atoms	142
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2014.63
LogP ≤ 5	40.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Analyze 3-chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;methane;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;methane;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane?

The IUPAC name of 3-chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;methane;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane (CID 158547740) is 3-chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;methane;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane.

What is the SMILES notation for 3-chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;methane;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane?

The canonical SMILES for 3-chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;methane;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane is C.C.C.C.C.C.C.C.C.C.CC(=O)C(C)C.CC(C)C(C)(C)C.CC(C)C(C)(C)O.CC(C)c1ccc(F)cc1F.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1ncccc1Cl.CC(C)c1ncccn1.COc1ccccc1C(C)C.Cc1ccc(C(C)C)o1.Cc1cccc(C(C)C)n1.

What is the InChIKey of 3-chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;methane;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane?

The InChIKey is HPIHZNUSEKPXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C9H10F2.C9H13N.C8H10ClN.3C8H11N.C8H12O.2C7H10N2.C7H10O.C7H10S.C7H16.C6H14O.C5H10O.10CH4/c1-8(2)9-6-4-5-7-10(9)11-3;1-6(2)8-4-3-7(10)5-9(8)11;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)8-5-4-7(3)9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;2*1-6(2)7-4-3-5-8-7;1-6(2)7(3,4)5;1-5(2)6(3,4)7;1-4(2)5(3)6;;;;;;;;;;/h4-8H,1-3H3;3-6H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;3*3-7H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;2*3-6H,1-2H3;6H,1-5H3;5,7H,1-4H3;4H,1-3H3;10*1H4.

What are the key properties of 3-chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;methane;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane?

Where does this data come from?

All data for 3-chloro-2-propan-2-ylpyridine;2,4-difluoro-1-propan-2-ylbenzene;2,3-dimethylbutan-2-ol;methane;1-methoxy-2-propan-2-ylbenzene;3-methylbutan-2-one;2-methyl-5-propan-2-ylfuran;2-methyl-6-propan-2-ylpyridine;2-propan-2-ylfuran;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;2,2,3-trimethylbutane is sourced from PubChem (CID 158547740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).