1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol

C16H16F2O2 — CID 116789730

IUPAC1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol
SMILESCC(O)c1cccc(OCC(F)(F)c2ccccc2)c1
InChIInChI=1S/C16H16F2O2/c1-12(19)13-6-5-9-15(10-13)20-11-16(17,18)14-7-3-2-4-8-14/h2-10,12,19H,11H2,1H3
InChIKeyHHHGSGPREITWFR-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.91
Rot. Bonds5

About 1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol

1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol (PubChem CID 116789730) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol
PubChem CID116789730
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol
SMILESCC(O)c1cccc(OCC(F)(F)c2ccccc2)c1
InChIInChI=1S/C16H16F2O2/c1-12(19)13-6-5-9-15(10-13)20-11-16(17,18)14-7-3-2-4-8-14/h2-10,12,19H,11H2,1H3
InChIKeyHHHGSGPREITWFR-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-chloro-4-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol
CID 104893422
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536
1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 104930630
3-[[3-(1-hydroxyethyl)phenoxy]methyl]pentan-3-ol
CID 114494412
1-(3-phenoxyphenyl)ethanol
CID 12882419
(1S)-1-[3-(3-fluoropropoxy)phenyl]ethanol
CID 81114457
(1R)-1-[3-(3,3-dimethylbutoxy)phenyl]ethanol
CID 63365378
(1R)-1-[3-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 55189004
1-[3-(phenylmethoxymethoxy)phenyl]ethanol
CID 102939820
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
1-[3-(2-methylbutoxy)phenyl]ethanol
CID 62104387
3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol
CID 82849501

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol?
The IUPAC name of 1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol (CID 116789730) is 1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol?
The canonical SMILES for 1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol is CC(O)c1cccc(OCC(F)(F)c2ccccc2)c1.
What is the InChIKey of 1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol?
The InChIKey is HHHGSGPREITWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-12(19)13-6-5-9-15(10-13)20-11-16(17,18)14-7-3-2-4-8-14/h2-10,12,19H,11H2,1H3.
What are the key properties of 1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol?
1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol has a molecular weight of 278.30 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol is sourced from PubChem (CID 116789730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).