1-[3,5-bis(trifluoromethyl)phenyl]ethanol

C10H8F6O — CID 6425739

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]ethanol
SMILESCC(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3
InChIKeyMMSCIQKQJVBPIR-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.78
Rot. Bonds1

About 1-[3,5-bis(trifluoromethyl)phenyl]ethanol

1-[3,5-bis(trifluoromethyl)phenyl]ethanol (PubChem CID 6425739) has the molecular formula C10H8F6O and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]ethanol
PubChem CID6425739
Molecular FormulaC10H8F6O
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]ethanol
SMILESCC(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3
InChIKeyMMSCIQKQJVBPIR-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
Benzhydrol
CID 7037
1-Phenyl-1,2-ethanediol
CID 7149
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
1-Phenylethanol, (R)-
CID 637516
3-Methylbenzyl alcohol
CID 11476
1-Phenylethanol, (S)-
CID 443135
alpha-Ethyl-alpha-phenyl-3-(trifluoromethyl)benzenemethanol
CID 41870
4-(Trifluoromethyl)benzenemethanol
CID 67684
alpha,alpha-Bis(trifluoromethyl)benzyl alcohol
CID 69748

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]ethanol (CID 6425739) is 1-[3,5-bis(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]ethanol is CC(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]ethanol?
The InChIKey is MMSCIQKQJVBPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]ethanol?
1-[3,5-bis(trifluoromethyl)phenyl]ethanol has a molecular weight of 258.16 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 6425739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).