2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene

C11H14F2O — CID 143612370

IUPAC2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene
SMILESCc1cc(C)c(OC(C)C)c(F)c1F
InChIInChI=1S/C11H14F2O/c1-6(2)14-11-8(4)5-7(3)9(12)10(11)13/h5-6H,1-4H3
InChIKeyNTLVZNFLLQABEK-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.37
Rot. Bonds2

About 2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene

2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene (PubChem CID 143612370) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene
PubChem CID143612370
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene
SMILESCc1cc(C)c(OC(C)C)c(F)c1F
InChIInChI=1S/C11H14F2O/c1-6(2)14-11-8(4)5-7(3)9(12)10(11)13/h5-6H,1-4H3
InChIKeyNTLVZNFLLQABEK-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,5-pentafluoro-6-propan-2-yloxybenzene
CID 13411834
1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene
CID 147057196
ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene
CID 142216481
methyl 3-fluoro-6-hydroxy-4-methyl-2-propan-2-yloxybenzoate
CID 169245923
1,3-dimethyl-2-propan-2-yloxy-5-propan-2-ylsulfanylbenzene
CID 171366141
1,2-difluoro-4-methyl-5-propan-2-yloxybenzene
CID 130512828
1-(2,3,5,6-tetrafluoro-4-propan-2-yloxyphenyl)ethanol
CID 174556288
5,7-dimethyl-8-propan-2-yloxyquinoline
CID 143619091
1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene
CID 130057945
3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline
CID 82266805
4-fluoro-2-methyl-1-propan-2-yloxybenzene
CID 58970665
5-[chloro(nitroso)methyl]-1,3-dimethyl-2-propan-2-yloxybenzene
CID 91345599

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene?
The IUPAC name of 2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene (CID 143612370) is 2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene.
What is the SMILES notation for 2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene?
The canonical SMILES for 2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene is Cc1cc(C)c(OC(C)C)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene?
The InChIKey is NTLVZNFLLQABEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-6(2)14-11-8(4)5-7(3)9(12)10(11)13/h5-6H,1-4H3.
What are the key properties of 2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene?
2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene has a molecular weight of 200.23 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1,5-dimethyl-4-propan-2-yloxybenzene is sourced from PubChem (CID 143612370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).