1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol

C13H16F3NO — CID 175324243

IUPAC1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol
SMILESCC(O)c1cccc(F)c1N1CCC(F)(F)CC1
InChIInChI=1S/C13H16F3NO/c1-9(18)10-3-2-4-11(14)12(10)17-7-5-13(15,16)6-8-17/h2-4,9,18H,5-8H2,1H3
InChIKeyWQMOANXGQOYALK-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.11
Rot. Bonds2

About 1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol

1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol (PubChem CID 175324243) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol
PubChem CID175324243
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol
SMILESCC(O)c1cccc(F)c1N1CCC(F)(F)CC1
InChIInChI=1S/C13H16F3NO/c1-9(18)10-3-2-4-11(14)12(10)17-7-5-13(15,16)6-8-17/h2-4,9,18H,5-8H2,1H3
InChIKeyWQMOANXGQOYALK-UHFFFAOYSA-N
XLogP3.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanethiol
CID 175324246
1-[2-fluoro-6-(1-hydroxyethyl)phenyl]pyrrolidine-3,4-diol
CID 114059264
(1R)-1-[3-fluoro-2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
CID 114059080
1-[2-(2,2-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol
CID 114059172
(1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol
CID 114059063
(1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol
CID 114059199
1-[3-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol
CID 114059166
1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol
CID 114059212
4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine
CID 117007764
4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one
CID 114059174
1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 114059102
1-[3-fluoro-2-(1,4-thiazepan-4-yl)phenyl]ethanamine
CID 114058661

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol?
The IUPAC name of 1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol (CID 175324243) is 1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol is CC(O)c1cccc(F)c1N1CCC(F)(F)CC1.
What is the InChIKey of 1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol?
The InChIKey is WQMOANXGQOYALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-9(18)10-3-2-4-11(14)12(10)17-7-5-13(15,16)6-8-17/h2-4,9,18H,5-8H2,1H3.
What are the key properties of 1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol?
1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol has a molecular weight of 259.27 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol is sourced from PubChem (CID 175324243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).