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

C12H11F7O — CID 115515699

IUPAC5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol
SMILESOC(CCCC(F)(F)F)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C12H11F7O/c13-7-3-4-8(9(6-7)12(17,18)19)10(20)2-1-5-11(14,15)16/h3-4,6,10,20H,1-2,5H2
InChIKeyWRFRJILVGQPTOB-UHFFFAOYSA-N
MW304.21 g/mol
LogP4.61
Rot. Bonds4

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

5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol (PubChem CID 115515699) has the molecular formula C12H11F7O and a molecular weight of 304.21 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol
PubChem CID115515699
Molecular FormulaC12H11F7O
Molecular Weight304.21 g/mol
Exact Mass304.07
IUPAC Name5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol
SMILESOC(CCCC(F)(F)F)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C12H11F7O/c13-7-3-4-8(9(6-7)12(17,18)19)10(20)2-1-5-11(14,15)16/h3-4,6,10,20H,1-2,5H2
InChIKeyWRFRJILVGQPTOB-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol
CID 129381916
(1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 171228633
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol
CID 107892736
5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol
CID 115515411
1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 46311777
3-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170828543
5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115828331
3-bromo-1-[4-fluoro-2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860504
1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170820398
(1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 131361853
(1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131385611
5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
CID 115515409

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol (CID 115515699) is 5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol is OC(CCCC(F)(F)F)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol?
The InChIKey is WRFRJILVGQPTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F7O/c13-7-3-4-8(9(6-7)12(17,18)19)10(20)2-1-5-11(14,15)16/h3-4,6,10,20H,1-2,5H2.
What are the key properties of 5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol?
5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol has a molecular weight of 304.21 g/mol, XLogP of 4.61, 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-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol is sourced from PubChem (CID 115515699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).