[(3R)-1-[(3,4-difluorocyclohexyl)methyl]pyrrolidin-3-yl]methanol

C12H21F2NO — CID 71137571

IUPAC[(3R)-1-[(3,4-difluorocyclohexyl)methyl]pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CCN(CC2CCC(F)C(F)C2)C1
InChIInChI=1S/C12H21F2NO/c13-11-2-1-9(5-12(11)14)6-15-4-3-10(7-15)8-16/h9-12,16H,1-8H2/t9?,10-,11?,12?/m1/s1
InChIKeyFLXLXTQDRKCDBG-HPDCSRJSSA-N
MW233.30 g/mol
LogP1.78
Rot. Bonds3

About [(3R)-1-[(3,4-difluorocyclohexyl)methyl]pyrrolidin-3-yl]methanol

[(3R)-1-[(3,4-difluorocyclohexyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 71137571) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is [(3R)-1-[(3,4-difluorocyclohexyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(3,4-difluorocyclohexyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID71137571
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name[(3R)-1-[(3,4-difluorocyclohexyl)methyl]pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CCN(CC2CCC(F)C(F)C2)C1
InChIInChI=1S/C12H21F2NO/c13-11-2-1-9(5-12(11)14)6-15-4-3-10(7-15)8-16/h9-12,16H,1-8H2/t9?,10-,11?,12?/m1/s1
InChIKeyFLXLXTQDRKCDBG-HPDCSRJSSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol
CID 60007094
3,3-Difluoro-1-(1-methylpyrrolidin-3-yl)propan-1-ol
CID 143016289
3-[Cyclohexylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 60256785
3-[1-[(3,3-Difluorocyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 114225045
1-[1-[(3,3-Difluorocyclohexyl)methyl]pyrrolidin-3-yl]ethanol
CID 114225051
[4-(2-Fluoropropyl)-1-methylpyrrolidin-3-yl]methanol
CID 115014551
[4-(2,2-Difluoropropyl)-1-methylpyrrolidin-3-yl]methanol
CID 115019369
[1-(5,5,5-Trifluoropentyl)pyrrolidin-3-yl]methanol
CID 115486642
(3R)-1-[(4,4-difluorocyclohexyl)methyl]pyrrolidin-3-ol
CID 126793935
(1-((4,4-Difluorocyclohexyl)methyl)piperidin-4-yl)methanol
CID 128699654
((1r,4r)-4-((3,3-Difluoropyrrolidin-1-yl)methyl)cyclohexyl)methanol
CID 139267780
[(3R,4S)-3-fluoro-1-methyl-4-propyl-pyrrolidin-3-yl]methanol
CID 177788905

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(3,4-difluorocyclohexyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(3,4-difluorocyclohexyl)methyl]pyrrolidin-3-yl]methanol (CID 71137571) is [(3R)-1-[(3,4-difluorocyclohexyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(3,4-difluorocyclohexyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(3,4-difluorocyclohexyl)methyl]pyrrolidin-3-yl]methanol is OC[C@@H]1CCN(CC2CCC(F)C(F)C2)C1.
What is the InChIKey of [(3R)-1-[(3,4-difluorocyclohexyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is FLXLXTQDRKCDBG-HPDCSRJSSA-N. The full InChI is InChI=1S/C12H21F2NO/c13-11-2-1-9(5-12(11)14)6-15-4-3-10(7-15)8-16/h9-12,16H,1-8H2/t9?,10-,11?,12?/m1/s1.
What are the key properties of [(3R)-1-[(3,4-difluorocyclohexyl)methyl]pyrrolidin-3-yl]methanol?
[(3R)-1-[(3,4-difluorocyclohexyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 233.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(3,4-difluorocyclohexyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 71137571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).