5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol

C11H12F4O — CID 115515411

IUPAC5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol
SMILESOC(CCCC(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C11H12F4O/c12-9-4-1-3-8(7-9)10(16)5-2-6-11(13,14)15/h1,3-4,7,10,16H,2,5-6H2
InChIKeyWSXMWTXXDQEHRA-UHFFFAOYSA-N
MW236.21 g/mol
LogP3.59
Rot. Bonds4

About 5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol

5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol (PubChem CID 115515411) has the molecular formula C11H12F4O and a molecular weight of 236.21 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol
PubChem CID115515411
Molecular FormulaC11H12F4O
Molecular Weight236.21 g/mol
Exact Mass236.08
IUPAC Name5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol
SMILESOC(CCCC(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C11H12F4O/c12-9-4-1-3-8(7-9)10(16)5-2-6-11(13,14)15/h1,3-4,7,10,16H,2,5-6H2
InChIKeyWSXMWTXXDQEHRA-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-fluorophenyl)-5,5-dimethylhexan-1-ol;hydrochloride
CID 158976565
1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol
CID 106695875
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
3-(5,5,5-trifluoro-1-hydroxypentyl)benzonitrile
CID 115515722
6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine
CID 104889893
5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol
CID 115515699
methyl 4-(3-fluorophenyl)-4-hydroxybutanoate
CID 60731823
1-phenyl-3-(4,4,4-trifluorobutoxy)propan-1-ol
CID 116693441
3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol
CID 103147844
1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515423
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
2-azido-1-(3-fluorophenyl)ethanol
CID 83093254

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol (CID 115515411) is 5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol is OC(CCCC(F)(F)F)c1cccc(F)c1.
What is the InChIKey of 5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol?
The InChIKey is WSXMWTXXDQEHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O/c12-9-4-1-3-8(7-9)10(16)5-2-6-11(13,14)15/h1,3-4,7,10,16H,2,5-6H2.
What are the key properties of 5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol?
5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol has a molecular weight of 236.21 g/mol, XLogP of 3.59, 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-(3-fluorophenyl)pentan-1-ol is sourced from PubChem (CID 115515411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).