1-(4-ethoxyphenyl)-2,2-difluoroethanol

C10H12F2O2 — CID 80604264

IUPAC1-(4-ethoxyphenyl)-2,2-difluoroethanol
SMILESCCOc1ccc(C(O)C(F)F)cc1
InChIInChI=1S/C10H12F2O2/c1-2-14-8-5-3-7(4-6-8)9(13)10(11)12/h3-6,9-10,13H,2H2,1H3
InChIKeyYZPOAGFPFMGBFG-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.38
Rot. Bonds4

About 1-(4-ethoxyphenyl)-2,2-difluoroethanol

1-(4-ethoxyphenyl)-2,2-difluoroethanol (PubChem CID 80604264) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2,2-difluoroethanol
PubChem CID80604264
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name1-(4-ethoxyphenyl)-2,2-difluoroethanol
SMILESCCOc1ccc(C(O)C(F)F)cc1
InChIInChI=1S/C10H12F2O2/c1-2-14-8-5-3-7(4-6-8)9(13)10(11)12/h3-6,9-10,13H,2H2,1H3
InChIKeyYZPOAGFPFMGBFG-UHFFFAOYSA-N
XLogP2.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

amino-(4-ethoxyphenyl)methanol
CID 116939610
(1S,2R)-1-amino-1-(4-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171266991
1-(4-ethoxyphenyl)-2,2-difluoro-N-methylethanamine
CID 80604791
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646
1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 61100045
1-(4-ethoxyphenyl)-2-ethylhexan-1-ol
CID 61099537
1-(4-ethoxy-3,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)ethane-1,2-diol
CID 134831013
S-[3-(4-ethoxyphenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821885
1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 64567192
1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82314062
1-(4-ethoxyphenyl)-2-(2-methylpropylamino)butan-1-ol
CID 82314041
1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol
CID 82314059

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2,2-difluoroethanol?
The IUPAC name of 1-(4-ethoxyphenyl)-2,2-difluoroethanol (CID 80604264) is 1-(4-ethoxyphenyl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2,2-difluoroethanol?
The canonical SMILES for 1-(4-ethoxyphenyl)-2,2-difluoroethanol is CCOc1ccc(C(O)C(F)F)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2,2-difluoroethanol?
The InChIKey is YZPOAGFPFMGBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-2-14-8-5-3-7(4-6-8)9(13)10(11)12/h3-6,9-10,13H,2H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-2,2-difluoroethanol?
1-(4-ethoxyphenyl)-2,2-difluoroethanol has a molecular weight of 202.20 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2,2-difluoroethanol is sourced from PubChem (CID 80604264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).