[1-(5-chloro-2-fluorophenyl)-3,3-difluoropiperidin-4-yl]methanol

C12H13ClF3NO — CID 176563657

IUPAC[1-(5-chloro-2-fluorophenyl)-3,3-difluoropiperidin-4-yl]methanol
SMILESOCC1CCN(c2cc(Cl)ccc2F)CC1(F)F
InChIInChI=1S/C12H13ClF3NO/c13-9-1-2-10(14)11(5-9)17-4-3-8(6-18)12(15,16)7-17/h1-2,5,8,18H,3-4,6-7H2
InChIKeyCENCEIGTRHCOAL-UHFFFAOYSA-N
MW279.69 g/mol
LogP2.93
Rot. Bonds2

About [1-(5-chloro-2-fluorophenyl)-3,3-difluoropiperidin-4-yl]methanol

[1-(5-chloro-2-fluorophenyl)-3,3-difluoropiperidin-4-yl]methanol (PubChem CID 176563657) has the molecular formula C12H13ClF3NO and a molecular weight of 279.69 g/mol. Its IUPAC name is [1-(5-chloro-2-fluorophenyl)-3,3-difluoropiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-chloro-2-fluorophenyl)-3,3-difluoropiperidin-4-yl]methanol
PubChem CID176563657
Molecular FormulaC12H13ClF3NO
Molecular Weight279.69 g/mol
Exact Mass279.06
IUPAC Name[1-(5-chloro-2-fluorophenyl)-3,3-difluoropiperidin-4-yl]methanol
SMILESOCC1CCN(c2cc(Cl)ccc2F)CC1(F)F
InChIInChI=1S/C12H13ClF3NO/c13-9-1-2-10(14)11(5-9)17-4-3-8(6-18)12(15,16)7-17/h1-2,5,8,18H,3-4,6-7H2
InChIKeyCENCEIGTRHCOAL-UHFFFAOYSA-N
XLogP2.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,3-difluoro-1-(2-fluoro-4-nitrophenyl)piperidin-4-yl]methanol
CID 176705651
[1-(3-chloro-4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]methanol
CID 117017752
[1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112624254
[4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol
CID 114845335
1-(2,5-difluorophenyl)piperidin-4-ol
CID 141069702
[3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol
CID 117012267
1-(4-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
CID 156503762
1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine
CID 117007615
3-[5-[3,3-difluoro-4-(hydroxymethyl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170384962
[1-(2-fluorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024876
1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine
CID 64924315
[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol
CID 64868848

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-fluorophenyl)-3,3-difluoropiperidin-4-yl]methanol?
The IUPAC name of [1-(5-chloro-2-fluorophenyl)-3,3-difluoropiperidin-4-yl]methanol (CID 176563657) is [1-(5-chloro-2-fluorophenyl)-3,3-difluoropiperidin-4-yl]methanol.
What is the SMILES notation for [1-(5-chloro-2-fluorophenyl)-3,3-difluoropiperidin-4-yl]methanol?
The canonical SMILES for [1-(5-chloro-2-fluorophenyl)-3,3-difluoropiperidin-4-yl]methanol is OCC1CCN(c2cc(Cl)ccc2F)CC1(F)F.
What is the InChIKey of [1-(5-chloro-2-fluorophenyl)-3,3-difluoropiperidin-4-yl]methanol?
The InChIKey is CENCEIGTRHCOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO/c13-9-1-2-10(14)11(5-9)17-4-3-8(6-18)12(15,16)7-17/h1-2,5,8,18H,3-4,6-7H2.
What are the key properties of [1-(5-chloro-2-fluorophenyl)-3,3-difluoropiperidin-4-yl]methanol?
[1-(5-chloro-2-fluorophenyl)-3,3-difluoropiperidin-4-yl]methanol has a molecular weight of 279.69 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-fluorophenyl)-3,3-difluoropiperidin-4-yl]methanol is sourced from PubChem (CID 176563657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).