[1-[(3,3-difluorocyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol

C13H23F2NO — CID 114225058

IUPAC[1-[(3,3-difluorocyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CC2CCCC(F)(F)C2)C1CO
InChIInChI=1S/C13H23F2NO/c1-10-4-6-16(12(10)9-17)8-11-3-2-5-13(14,15)7-11/h10-12,17H,2-9H2,1H3
InChIKeyQPNXEWWKKYXXNI-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.51
Rot. Bonds3

About [1-[(3,3-difluorocyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol

[1-[(3,3-difluorocyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 114225058) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is [1-[(3,3-difluorocyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3,3-difluorocyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID114225058
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name[1-[(3,3-difluorocyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CC2CCCC(F)(F)C2)C1CO
InChIInChI=1S/C13H23F2NO/c1-10-4-6-16(12(10)9-17)8-11-3-2-5-13(14,15)7-11/h10-12,17H,2-9H2,1H3
InChIKeyQPNXEWWKKYXXNI-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2,2-trifluoro-1-[(2S)-1-[(3-propan-2-ylcyclobutyl)methyl]pyrrolidin-2-yl]ethanol
CID 68067721
(2-Ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
CID 123449239
[3-Methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
CID 142794277
[(2R)-4,4-difluoro-1-(3-methylbutan-2-yl)pyrrolidin-2-yl]methanol
CID 146286428
[(2R)-4,4-difluoro-1-(2,2,4,4-tetramethylpentan-3-yl)pyrrolidin-2-yl]methanol
CID 153305224
[4,4-Difluoro-1-(2,2,4-trimethylpentan-3-yl)pyrrolidin-2-yl]methanol
CID 153377388
[(2R)-1-(2,2-difluoroethyl)-3,5-dimethylpyrrolidin-2-yl]methanol
CID 154990714
((2S,4R)-1-Methyl-4-(trifluoromethyl)pyrrolidin-2-yl)methanol
CID 156117478
(3S)-5-[2-(3,3-difluoropyrrolidin-1-yl)propyl]-1-propan-2-ylpiperidin-3-ol
CID 156171757
Propane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol
CID 163397426
1-[1,4-Di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol
CID 163397622
[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol
CID 164878963

Frequently Asked Questions

What is the IUPAC name of [1-[(3,3-difluorocyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(3,3-difluorocyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol (CID 114225058) is [1-[(3,3-difluorocyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(3,3-difluorocyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(3,3-difluorocyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(CC2CCCC(F)(F)C2)C1CO.
What is the InChIKey of [1-[(3,3-difluorocyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is QPNXEWWKKYXXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-10-4-6-16(12(10)9-17)8-11-3-2-5-13(14,15)7-11/h10-12,17H,2-9H2,1H3.
What are the key properties of [1-[(3,3-difluorocyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[(3,3-difluorocyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 247.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,3-difluorocyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 114225058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).