5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol

C12H12F6O — CID 79953429

IUPAC5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
SMILESOC(CCC(F)(F)F)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F6O/c13-11(14,15)6-5-10(19)7-8-1-3-9(4-2-8)12(16,17)18/h1-4,10,19H,5-7H2
InChIKeyRRTCVDJZUCXJSR-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.95
Rot. Bonds4

About 5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol

5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol (PubChem CID 79953429) has the molecular formula C12H12F6O and a molecular weight of 286.22 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
PubChem CID79953429
Molecular FormulaC12H12F6O
Molecular Weight286.22 g/mol
Exact Mass286.08
IUPAC Name5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
SMILESOC(CCC(F)(F)F)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F6O/c13-11(14,15)6-5-10(19)7-8-1-3-9(4-2-8)12(16,17)18/h1-4,10,19H,5-7H2
InChIKeyRRTCVDJZUCXJSR-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-2-ol
CID 79952878
4-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 103147476
4-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 65148752
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 55095519
1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62606366
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449
4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 105091191
1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 115788878
N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79954040
1-(3-bromo-4-fluorophenyl)-5,5,5-trifluoropentan-2-ol
CID 79954757
4,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-ol
CID 115791046
1-(3-bromophenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62608406

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol?
The IUPAC name of 5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol (CID 79953429) is 5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol?
The canonical SMILES for 5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol is OC(CCC(F)(F)F)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol?
The InChIKey is RRTCVDJZUCXJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6O/c13-11(14,15)6-5-10(19)7-8-1-3-9(4-2-8)12(16,17)18/h1-4,10,19H,5-7H2.
What are the key properties of 5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol?
5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol has a molecular weight of 286.22 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol is sourced from PubChem (CID 79953429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).