1-(4-ethenylphenyl)-2,2,2-trifluoroethanol

C10H9F3O — CID 20741103

IUPAC1-(4-ethenylphenyl)-2,2,2-trifluoroethanol
SMILESC=Cc1ccc(C(O)C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O/c1-2-7-3-5-8(6-4-7)9(14)10(11,12)13/h2-6,9,14H,1H2
InChIKeyPQQVFITXQHCGGH-UHFFFAOYSA-N
MW202.17 g/mol
LogP2.93
Rot. Bonds2

About 1-(4-ethenylphenyl)-2,2,2-trifluoroethanol

1-(4-ethenylphenyl)-2,2,2-trifluoroethanol (PubChem CID 20741103) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is 1-(4-ethenylphenyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(4-ethenylphenyl)-2,2,2-trifluoroethanol
PubChem CID20741103
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name1-(4-ethenylphenyl)-2,2,2-trifluoroethanol
SMILESC=Cc1ccc(C(O)C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O/c1-2-7-3-5-8(6-4-7)9(14)10(11,12)13/h2-6,9,14H,1H2
InChIKeyPQQVFITXQHCGGH-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzyl Alcohol
CID 244
1-Phenylethanol
CID 7409
Cuminol
CID 325
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
4-Methylbenzyl alcohol
CID 11505
Benzhydrol
CID 7037
1-Phenyl-1,2-ethanediol
CID 7149
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
p-Cymen-8-ol
CID 14529
1-Phenylethanol, (R)-
CID 637516
1-Phenylethanol, (S)-
CID 443135

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(4-ethenylphenyl)-2,2,2-trifluoroethanol (CID 20741103) is 1-(4-ethenylphenyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(4-ethenylphenyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(4-ethenylphenyl)-2,2,2-trifluoroethanol is C=Cc1ccc(C(O)C(F)(F)F)cc1.
What is the InChIKey of 1-(4-ethenylphenyl)-2,2,2-trifluoroethanol?
The InChIKey is PQQVFITXQHCGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-2-7-3-5-8(6-4-7)9(14)10(11,12)13/h2-6,9,14H,1H2.
What are the key properties of 1-(4-ethenylphenyl)-2,2,2-trifluoroethanol?
1-(4-ethenylphenyl)-2,2,2-trifluoroethanol has a molecular weight of 202.17 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 20741103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).