2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol

C11H14F2O — CID 117289376

IUPAC2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol
SMILESCC(F)c1c(F)cccc1C(C)CO
InChIInChI=1S/C11H14F2O/c1-7(6-14)9-4-3-5-10(13)11(9)8(2)12/h3-5,7-8,14H,6H2,1-2H3
InChIKeyBSSSFDFTNABRMR-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.95
Rot. Bonds3

About 2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol

2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol (PubChem CID 117289376) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol
PubChem CID117289376
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol
SMILESCC(F)c1c(F)cccc1C(C)CO
InChIInChI=1S/C11H14F2O/c1-7(6-14)9-4-3-5-10(13)11(9)8(2)12/h3-5,7-8,14H,6H2,1-2H3
InChIKeyBSSSFDFTNABRMR-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol
CID 84660540
3-[3-fluoro-2-(1-fluoroethyl)phenyl]butanal
CID 117302958
(2S)-2-(2-fluoro-3-methylphenyl)propan-1-ol
CID 137495606
ethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate
CID 117362052
3-[2-(difluoromethyl)-3-fluorophenyl]butanoic acid
CID 84695364
2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol
CID 84672964
[3-fluoro-2-(1-fluoroethyl)phenyl]methanamine
CID 84654036
2-butan-2-yl-1,3-difluorobenzene
CID 56605716
3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol
CID 117281030
2-[2-(2,2-difluoroethyl)phenyl]propan-1-ol
CID 117289377
2-[2-(difluoromethylsulfanyl)phenyl]propan-1-ol
CID 117311095
1-(2,6-difluorophenyl)ethanol
CID 5012075

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol?
The IUPAC name of 2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol (CID 117289376) is 2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol is CC(F)c1c(F)cccc1C(C)CO.
What is the InChIKey of 2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol?
The InChIKey is BSSSFDFTNABRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-7(6-14)9-4-3-5-10(13)11(9)8(2)12/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of 2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol?
2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol has a molecular weight of 200.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117289376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).