1-(3-cyclobutylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

C14H14F6O — CID 103312671

IUPAC1-(3-cyclobutylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESOC(c1cccc(C2CCC2)c1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H14F6O/c15-13(16,17)12(14(18,19)20)11(21)10-6-2-5-9(7-10)8-3-1-4-8/h2,5-8,11-12,21H,1,3-4H2
InChIKeyJXCMNMQCCFWQBY-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.73
Rot. Bonds3

About 1-(3-cyclobutylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

1-(3-cyclobutylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (PubChem CID 103312671) has the molecular formula C14H14F6O and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
PubChem CID103312671
Molecular FormulaC14H14F6O
Molecular Weight312.25 g/mol
Exact Mass312.09
IUPAC Name1-(3-cyclobutylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESOC(c1cccc(C2CCC2)c1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H14F6O/c15-13(16,17)12(14(18,19)20)11(21)10-6-2-5-9(7-10)8-3-1-4-8/h2,5-8,11-12,21H,1,3-4H2
InChIKeyJXCMNMQCCFWQBY-UHFFFAOYSA-N
XLogP4.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol
CID 104939857
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CID 103456751
(3-cyclobutylphenyl)-cyclopropylmethanol
CID 114601273
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
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1-(3-cyclobutylphenyl)-2-methylhexan-1-ol
CID 114247202
1-(3-cyclobutylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474035
1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
CID 114602219
3-amino-1-(3-cyclobutylphenyl)propan-1-ol
CID 114601621
1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
(3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol
CID 114602324
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CID 178189134

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The IUPAC name of 1-(3-cyclobutylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (CID 103312671) is 1-(3-cyclobutylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The canonical SMILES for 1-(3-cyclobutylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is OC(c1cccc(C2CCC2)c1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(3-cyclobutylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The InChIKey is JXCMNMQCCFWQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F6O/c15-13(16,17)12(14(18,19)20)11(21)10-6-2-5-9(7-10)8-3-1-4-8/h2,5-8,11-12,21H,1,3-4H2.
What are the key properties of 1-(3-cyclobutylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
1-(3-cyclobutylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol has a molecular weight of 312.25 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is sourced from PubChem (CID 103312671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).