1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol

C11H12F4O2 — CID 64566512

IUPAC1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
SMILESCC(O)c1ccc(F)cc1OCCC(F)(F)F
InChIInChI=1S/C11H12F4O2/c1-7(16)9-3-2-8(12)6-10(9)17-5-4-11(13,14)15/h2-3,6-7,16H,4-5H2,1H3
InChIKeyVRTABQQAOGXCLO-UHFFFAOYSA-N
MW252.21 g/mol
LogP3.21
Rot. Bonds4

About 1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol

1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol (PubChem CID 64566512) has the molecular formula C11H12F4O2 and a molecular weight of 252.21 g/mol. Its IUPAC name is 1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
PubChem CID64566512
Molecular FormulaC11H12F4O2
Molecular Weight252.21 g/mol
Exact Mass252.08
IUPAC Name1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
SMILESCC(O)c1ccc(F)cc1OCCC(F)(F)F
InChIInChI=1S/C11H12F4O2/c1-7(16)9-3-2-8(12)6-10(9)17-5-4-11(13,14)15/h2-3,6-7,16H,4-5H2,1H3
InChIKeyVRTABQQAOGXCLO-UHFFFAOYSA-N
XLogP3.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2,2-dimethylbutanenitrile
CID 79005064
(1R)-1-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]ethanol
CID 63366014
(1R)-1-[4-fluoro-2-(2-methoxyethoxy)phenyl]ethanol
CID 63366326
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
(1S)-1-[4-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]ethanol
CID 63366184
5-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78932245
(1S)-1-[4-fluoro-2-(2-methylsulfanylethoxy)phenyl]ethanol
CID 104863621
5-[5-fluoro-2-(1-hydroxyethyl)phenoxy]-2,2-dimethylpentanenitrile
CID 65255879
1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanol
CID 113326521
(1R)-1-[4-fluoro-2-(3-phenoxypropoxy)phenyl]ethanol
CID 63366101
(1S)-1-[2-(2-ethylsulfonylethoxy)-4-fluorophenyl]ethanol
CID 78932553
1-[4-fluoro-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethanol
CID 63067681

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol?
The IUPAC name of 1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol (CID 64566512) is 1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol is CC(O)c1ccc(F)cc1OCCC(F)(F)F.
What is the InChIKey of 1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol?
The InChIKey is VRTABQQAOGXCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O2/c1-7(16)9-3-2-8(12)6-10(9)17-5-4-11(13,14)15/h2-3,6-7,16H,4-5H2,1H3.
What are the key properties of 1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol?
1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol has a molecular weight of 252.21 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol is sourced from PubChem (CID 64566512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).