1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol

C10H12F2O — CID 84660540

IUPAC1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol
SMILESCC(O)c1cccc(F)c1C(C)F
InChIInChI=1S/C10H12F2O/c1-6(11)10-8(7(2)13)4-3-5-9(10)12/h3-7,13H,1-2H3
InChIKeyQKYLCSIAGRSBCN-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.91
Rot. Bonds2

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

1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol (PubChem CID 84660540) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol
PubChem CID84660540
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol
SMILESCC(O)c1cccc(F)c1C(C)F
InChIInChI=1S/C10H12F2O/c1-6(11)10-8(7(2)13)4-3-5-9(10)12/h3-7,13H,1-2H3
InChIKeyQKYLCSIAGRSBCN-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol
CID 117289376
1-(2,6-difluorophenyl)ethanol
CID 5012075
ethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate
CID 117362052
3-[3-fluoro-2-(1-fluoroethyl)phenyl]butanal
CID 117302958
(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
CID 28743561
(1R)-1-[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 78951910
1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 43506529
(1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941712
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
1-fluoro-1-(2-fluorophenyl)propan-2-ol
CID 105435040
1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
[3-fluoro-2-(1-fluoroethyl)phenyl]methanamine
CID 84654036

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol?
The IUPAC name of 1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol (CID 84660540) is 1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol is CC(O)c1cccc(F)c1C(C)F.
What is the InChIKey of 1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol?
The InChIKey is QKYLCSIAGRSBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-6(11)10-8(7(2)13)4-3-5-9(10)12/h3-7,13H,1-2H3.
What are the key properties of 1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol?
1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol has a molecular weight of 186.20 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol is sourced from PubChem (CID 84660540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).