4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine;4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine;1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine;2-methyl-1-propan-2-ylpyrrolidine

C54H108F6N6 — CID 159256359

IUPAC4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine;4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine;1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine;2-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)C1CC(F)(F)CN1C(C)C.CC(C)C1CCCN1CCF.CC(C)C1C[C@H](F)CN1C(C)C.CC(C)N1CC(F)(F)CC1C.CC(C)N1CCCC1C.CC[C@@H]1CCCN1C(C)C
InChIInChI=1S/C10H19F2N.C10H20FN.C9H18FN.C9H19N.C8H15F2N.C8H17N/c1-7(2)9-5-10(11,12)6-13(9)8(3)4;1-7(2)10-5-9(11)6-12(10)8(3)4;1-8(2)9-4-3-6-11(9)7-5-10;1-4-9-6-5-7-10(9)8(2)3;1-6(2)11-5-8(9,10)4-7(11)3;1-7(2)9-6-4-5-8(9)3/h7-9H,5-6H2,1-4H3;7-10H,5-6H2,1-4H3;8-9H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;7-8H,4-6H2,1-3H3/t;9-,10?;;9-;;/m.0.1../s1
InChIKeyKVYHJBHBYCUCDX-BDXZMZTMSA-N
MW955.49 g/mol
LogP13.57
Rot. Bonds11

About 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine;4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine;1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine;2-methyl-1-propan-2-ylpyrrolidine

4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine;4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine;1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine;2-methyl-1-propan-2-ylpyrrolidine (PubChem CID 159256359) has the molecular formula C54H108F6N6 and a molecular weight of 955.49 g/mol. Its IUPAC name is 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine;4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine;1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine;2-methyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine;4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine;1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine;2-methyl-1-propan-2-ylpyrrolidine
PubChem CID159256359
Molecular FormulaC54H108F6N6
Molecular Weight955.49 g/mol
Exact Mass954.85
IUPAC Name4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine;4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine;1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine;2-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)C1CC(F)(F)CN1C(C)C.CC(C)C1CCCN1CCF.CC(C)C1C[C@H](F)CN1C(C)C.CC(C)N1CC(F)(F)CC1C.CC(C)N1CCCC1C.CC[C@@H]1CCCN1C(C)C
InChIInChI=1S/C10H19F2N.C10H20FN.C9H18FN.C9H19N.C8H15F2N.C8H17N/c1-7(2)9-5-10(11,12)6-13(9)8(3)4;1-7(2)10-5-9(11)6-12(10)8(3)4;1-8(2)9-4-3-6-11(9)7-5-10;1-4-9-6-5-7-10(9)8(2)3;1-6(2)11-5-8(9,10)4-7(11)3;1-7(2)9-6-4-5-8(9)3/h7-9H,5-6H2,1-4H3;7-10H,5-6H2,1-4H3;8-9H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;7-8H,4-6H2,1-3H3/t;9-,10?;;9-;;/m.0.1../s1
InChIKeyKVYHJBHBYCUCDX-BDXZMZTMSA-N
XLogP13.57
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.49
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine;4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine;1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine;2-methyl-1-propan-2-ylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine;4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine;1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine;2-methyl-1-propan-2-ylpyrrolidine?
The IUPAC name of 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine;4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine;1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine;2-methyl-1-propan-2-ylpyrrolidine (CID 159256359) is 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine;4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine;1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine;2-methyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine;4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine;1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine;2-methyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine;4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine;1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine;2-methyl-1-propan-2-ylpyrrolidine is CC(C)C1CC(F)(F)CN1C(C)C.CC(C)C1CCCN1CCF.CC(C)C1C[C@H](F)CN1C(C)C.CC(C)N1CC(F)(F)CC1C.CC(C)N1CCCC1C.CC[C@@H]1CCCN1C(C)C.
What is the InChIKey of 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine;4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine;1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine;2-methyl-1-propan-2-ylpyrrolidine?
The InChIKey is KVYHJBHBYCUCDX-BDXZMZTMSA-N. The full InChI is InChI=1S/C10H19F2N.C10H20FN.C9H18FN.C9H19N.C8H15F2N.C8H17N/c1-7(2)9-5-10(11,12)6-13(9)8(3)4;1-7(2)10-5-9(11)6-12(10)8(3)4;1-8(2)9-4-3-6-11(9)7-5-10;1-4-9-6-5-7-10(9)8(2)3;1-6(2)11-5-8(9,10)4-7(11)3;1-7(2)9-6-4-5-8(9)3/h7-9H,5-6H2,1-4H3;7-10H,5-6H2,1-4H3;8-9H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;6-7H,4-5H2,1-3H3;7-8H,4-6H2,1-3H3/t;9-,10?;;9-;;/m.0.1../s1.
What are the key properties of 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine;4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine;1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine;2-methyl-1-propan-2-ylpyrrolidine?
4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine;4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine;1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine;2-methyl-1-propan-2-ylpyrrolidine has a molecular weight of 955.49 g/mol, XLogP of 13.57, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1,2-di(propan-2-yl)pyrrolidine;4,4-difluoro-2-methyl-1-propan-2-ylpyrrolidine;(2R)-2-ethyl-1-propan-2-ylpyrrolidine;(4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidine;1-(2-fluoroethyl)-2-propan-2-ylpyrrolidine;2-methyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 159256359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).