1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylcyclopropyl)ethanol

C13H14F4O — CID 107287623

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylcyclopropyl)ethanol
SMILESCC1(C(C)(O)c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H14F4O/c1-11(5-6-11)12(2,18)8-3-4-10(14)9(7-8)13(15,16)17/h3-4,7,18H,5-6H2,1-2H3
InChIKeyCMBFIQWJLJXAOS-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.85
Rot. Bonds2

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylcyclopropyl)ethanol

1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylcyclopropyl)ethanol (PubChem CID 107287623) has the molecular formula C13H14F4O and a molecular weight of 262.25 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylcyclopropyl)ethanol.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylcyclopropyl)ethanol
PubChem CID107287623
Molecular FormulaC13H14F4O
Molecular Weight262.25 g/mol
Exact Mass262.10
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylcyclopropyl)ethanol
SMILESCC1(C(C)(O)c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H14F4O/c1-11(5-6-11)12(2,18)8-3-4-10(14)9(7-8)13(15,16)17/h3-4,7,18H,5-6H2,1-2H3
InChIKeyCMBFIQWJLJXAOS-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Phenyl-2-propanol
CID 12053
alpha1,alpha1,alpha3,alpha3-Tetrakis(trifluoromethyl)-1,3-benzenedimethanol
CID 69933
2-Phenylbutan-2-ol
CID 15283
alpha,alpha-Dicyclopropyl-4-fluorobenzenemethanol
CID 44095
alpha-Ethyl-alpha-phenyl-3-(trifluoromethyl)benzenemethanol
CID 41870
2-Phenyl-pentan-2-ol
CID 138214
3-Phenylpentan-3-ol
CID 238511
alpha,alpha-Bis(trifluoromethyl)benzyl alcohol
CID 69748
2-(3-Tolyl)-2-propanol
CID 255195
2-Phenyl-4-penten-2-ol
CID 143761
Diphenyl(trifluoromethyl)carbinol
CID 238346
1-(3,5-Bis(trifluoromethyl)phenyl)ethanol
CID 6425739

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylcyclopropyl)ethanol?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylcyclopropyl)ethanol (CID 107287623) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylcyclopropyl)ethanol.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylcyclopropyl)ethanol?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylcyclopropyl)ethanol is CC1(C(C)(O)c2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylcyclopropyl)ethanol?
The InChIKey is CMBFIQWJLJXAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4O/c1-11(5-6-11)12(2,18)8-3-4-10(14)9(7-8)13(15,16)17/h3-4,7,18H,5-6H2,1-2H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylcyclopropyl)ethanol?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylcyclopropyl)ethanol has a molecular weight of 262.25 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylcyclopropyl)ethanol is sourced from PubChem (CID 107287623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).