3-(3,3-difluoropyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-ol

C12H21F2NO — CID 165498565

IUPAC3-(3,3-difluoropyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)CC1N1CCC(F)(F)C1
InChIInChI=1S/C12H21F2NO/c1-11(2)4-3-9(16)7-10(11)15-6-5-12(13,14)8-15/h9-10,16H,3-8H2,1-2H3
InChIKeyWJUJWOOKFJFBNK-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.27
Rot. Bonds1

About 3-(3,3-difluoropyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-ol

3-(3,3-difluoropyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-ol (PubChem CID 165498565) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-(3,3-difluoropyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(3,3-difluoropyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-ol
PubChem CID165498565
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name3-(3,3-difluoropyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)CC1N1CCC(F)(F)C1
InChIInChI=1S/C12H21F2NO/c1-11(2)4-3-9(16)7-10(11)15-6-5-12(13,14)8-15/h9-10,16H,3-8H2,1-2H3
InChIKeyWJUJWOOKFJFBNK-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoropiperidin-1-yl)-4,4-dimethylcyclohexan-1-ol
CID 165491489
1-(5-hydroxy-2,2-dimethylcyclohexyl)pyridin-4-one
CID 165491790
1-cyclohexyl-3,3-difluoropyrrolidine
CID 117007575
4-(5-hydroxy-2,2-dimethylcyclohexyl)morpholin-3-one
CID 165497531
3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine
CID 156546245
(2R,5R)-3-(3,3-difluoropyrrolidin-1-yl)-1,2,5-trimethylpyrrolidine
CID 167009772
4-(3,3-difluoropyrrolidin-1-yl)piperidine
CID 53488020
10-(3-fluoropiperidin-1-yl)spiro[4.5]decan-8-ol
CID 165490984
4-ethyl-1-(5-hydroxy-2,2-dimethylcyclohexyl)pyrrolidin-2-one
CID 165498655
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine
CID 167291973
10-piperidin-1-ylspiro[4.5]decan-8-ol
CID 165497631
3-(4,4-dimethylpiperidin-1-yl)-4-methylcyclohexan-1-ol
CID 165491669

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 3-(3,3-difluoropyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-ol (CID 165498565) is 3-(3,3-difluoropyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 3-(3,3-difluoropyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 3-(3,3-difluoropyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)CC1N1CCC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoropyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-ol?
The InChIKey is WJUJWOOKFJFBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-11(2)4-3-9(16)7-10(11)15-6-5-12(13,14)8-15/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 3-(3,3-difluoropyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-ol?
3-(3,3-difluoropyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-ol has a molecular weight of 233.30 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropyrrolidin-1-yl)-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 165498565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).