3-[1-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol

C14H25F2NO — CID 114225045

IUPAC3-[1-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CC1CCCC(F)(F)C1
InChIInChI=1S/C14H25F2NO/c15-14(16)7-1-4-12(10-14)11-17-8-2-5-13(17)6-3-9-18/h12-13,18H,1-11H2
InChIKeyRXIDYZKINBRXBM-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.05
Rot. Bonds5

About 3-[1-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 114225045) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-[1-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID114225045
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name3-[1-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CC1CCCC(F)(F)C1
InChIInChI=1S/C14H25F2NO/c15-14(16)7-1-4-12(10-14)11-17-8-2-5-13(17)6-3-9-18/h12-13,18H,1-11H2
InChIKeyRXIDYZKINBRXBM-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-[(3,4-difluorocyclohexyl)methyl]pyrrolidin-3-yl]methanol
CID 71137571
[8-(2,2,2-Trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 117812511
[(1R,5S)-8-methyl-8-(2,2,2-trifluoroethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]methanol
CID 169859693
3-(1-Tert-butyl-4,4-difluoro-2-methylpyrrolidin-2-yl)propan-1-ol
CID 175500128
[(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 175853750
3-[1-(2,2-Difluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 62467257
3-[1-(2,2,2-Trifluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 62468165
2-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62608867
3-[1-(3,3,3-Trifluoropropyl)pyrrolidin-2-yl]propan-1-ol
CID 64568001
{4-[Methyl(2,2,2-trifluoroethyl)amino]cyclohexyl}methanol
CID 75433495
2-[2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-ol
CID 79564543
4,4,4-Trifluoro-3-pyrrolidin-2-ylbutan-1-ol
CID 84072609

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol (CID 114225045) is 3-[1-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1CC1CCCC(F)(F)C1.
What is the InChIKey of 3-[1-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is RXIDYZKINBRXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c15-14(16)7-1-4-12(10-14)11-17-8-2-5-13(17)6-3-9-18/h12-13,18H,1-11H2.
What are the key properties of 3-[1-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 261.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3,3-difluorocyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 114225045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).