[4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexyl]methanol

C12H21F2NO — CID 139267780

IUPAC[4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexyl]methanol
SMILESOCC1CCC(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C12H21F2NO/c13-12(14)5-6-15(9-12)7-10-1-3-11(8-16)4-2-10/h10-11,16H,1-9H2
InChIKeyRBVKYFVHSUKITR-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.13
Rot. Bonds3

About [4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexyl]methanol

[4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexyl]methanol (PubChem CID 139267780) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is [4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexyl]methanol
PubChem CID139267780
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name[4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexyl]methanol
SMILESOCC1CCC(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C12H21F2NO/c13-12(14)5-6-15(9-12)7-10-1-3-11(8-16)4-2-10/h10-11,16H,1-9H2
InChIKeyRBVKYFVHSUKITR-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexyl]methanol?
The IUPAC name of [4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexyl]methanol (CID 139267780) is [4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexyl]methanol?
The canonical SMILES for [4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexyl]methanol is OCC1CCC(CN2CCC(F)(F)C2)CC1.
What is the InChIKey of [4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexyl]methanol?
The InChIKey is RBVKYFVHSUKITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c13-12(14)5-6-15(9-12)7-10-1-3-11(8-16)4-2-10/h10-11,16H,1-9H2.
What are the key properties of [4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexyl]methanol?
[4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexyl]methanol has a molecular weight of 233.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclohexyl]methanol is sourced from PubChem (CID 139267780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).