2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

C17H23F2NO — CID 114339484

IUPAC2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1Cc1cc(F)ccc1F
InChIInChI=1S/C17H23F2NO/c18-13-7-8-15(19)12(10-13)11-20-9-3-5-16(20)14-4-1-2-6-17(14)21/h7-8,10,14,16-17,21H,1-6,9,11H2
InChIKeyDXLZMAIUJTWHNM-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.48
Rot. Bonds3

About 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339484) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339484
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1Cc1cc(F)ccc1F
InChIInChI=1S/C17H23F2NO/c18-13-7-8-15(19)12(10-13)11-20-9-3-5-16(20)14-4-1-2-6-17(14)21/h7-8,10,14,16-17,21H,1-6,9,11H2
InChIKeyDXLZMAIUJTWHNM-UHFFFAOYSA-N
XLogP3.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339286
2-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 105376720
2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114350545
2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339551
1-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62275065
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339702
2-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340133
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 105412100
2-fluoro-5-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480463
2-fluoro-5-[[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480461
2-fluoro-5-[[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480462
1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 3500116

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339484) is 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is OC1CCCCC1C1CCCN1Cc1cc(F)ccc1F.
What is the InChIKey of 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is DXLZMAIUJTWHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c18-13-7-8-15(19)12(10-13)11-20-9-3-5-16(20)14-4-1-2-6-17(14)21/h7-8,10,14,16-17,21H,1-6,9,11H2.
What are the key properties of 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 295.37 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).