1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone

C16H14F4O2 — CID 158070226

IUPAC1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone
SMILESCC(=O)c1cc(F)cc(F)c1.CC(O)c1cc(F)cc(F)c1
InChIInChI=1S/C8H8F2O.C8H6F2O/c2*1-5(11)6-2-7(9)4-8(10)3-6/h2-5,11H,1H3;2-4H,1H3
InChIKeyFLSRKRCPCCVSHA-UHFFFAOYSA-N
MW314.28 g/mol
LogP4.19
Rot. Bonds2

About 1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone

1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone (PubChem CID 158070226) has the molecular formula C16H14F4O2 and a molecular weight of 314.28 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone
PubChem CID158070226
Molecular FormulaC16H14F4O2
Molecular Weight314.28 g/mol
Exact Mass314.09
IUPAC Name1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone
SMILESCC(=O)c1cc(F)cc(F)c1.CC(O)c1cc(F)cc(F)c1
InChIInChI=1S/C8H8F2O.C8H6F2O/c2*1-5(11)6-2-7(9)4-8(10)3-6/h2-5,11H,1H3;2-4H,1H3
InChIKeyFLSRKRCPCCVSHA-UHFFFAOYSA-N
XLogP4.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-butan-2-yl-5-fluorophenyl)ethanone
CID 143473995
(2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one
CID 141396004
1-(3-fluoro-5-methylsulfonylphenyl)ethanol
CID 84683544
1-amino-1-(3,5-difluorophenyl)propan-2-one
CID 55271172
1-[3-(dimethylamino)-5-fluorophenyl]ethanone
CID 82535454
acetic acid;1,3,5-trifluorobenzene
CID 162178148
1-(3,5-difluorophenyl)-2-methoxy-3-methylbutan-1-one
CID 116708370
(3,5-difluorophenyl)methanediol
CID 142893041
bis(3,5-difluorophenyl)methanone
CID 2760569
1-[3-(ethylamino)-5-fluorophenyl]ethanone
CID 82535672
methyl 3-fluoro-5-propan-2-ylbenzoate
CID 103186417
carboxy-[1-(3,5-difluorophenyl)ethyl]carbamic acid
CID 66955357

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone?
The IUPAC name of 1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone (CID 158070226) is 1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone?
The canonical SMILES for 1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone is CC(=O)c1cc(F)cc(F)c1.CC(O)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone?
The InChIKey is FLSRKRCPCCVSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O.C8H6F2O/c2*1-5(11)6-2-7(9)4-8(10)3-6/h2-5,11H,1H3;2-4H,1H3.
What are the key properties of 1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone?
1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone has a molecular weight of 314.28 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)ethanol;1-(3,5-difluorophenyl)ethanone is sourced from PubChem (CID 158070226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).