1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol

C16H14F4O — CID 114872417

IUPAC1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCC(O)(c1cccc(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F4O/c1-2-15(21,12-6-4-8-14(17)10-12)11-5-3-7-13(9-11)16(18,19)20/h3-10,21H,2H2,1H3
InChIKeyYLYISLFVZVDDPH-UHFFFAOYSA-N
MW298.28 g/mol
LogP4.49
Rot. Bonds3

About 1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol

1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 114872417) has the molecular formula C16H14F4O and a molecular weight of 298.28 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID114872417
Molecular FormulaC16H14F4O
Molecular Weight298.28 g/mol
Exact Mass298.10
IUPAC Name1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCC(O)(c1cccc(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F4O/c1-2-15(21,12-6-4-8-14(17)10-12)11-5-3-7-13(9-11)16(18,19)20/h3-10,21H,2H2,1H3
InChIKeyYLYISLFVZVDDPH-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872344
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787437
1-(3-fluorophenyl)-1-(5-methylthiophen-3-yl)propan-1-ol
CID 114872384
1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872327
1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
CID 158487114
2-amino-1,1-bis(3-fluorophenyl)ethanol
CID 71663464
CID 59612023
CID 59612023
ethyl 2-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl]acetate
CID 70444859
2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 103465713
1-(3-fluorophenyl)-1-pyrazin-2-ylpropan-1-ol
CID 114872383
1-(2-amino-3-pyridinyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872419
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 114872417) is 1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol is CCC(O)(c1cccc(F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is YLYISLFVZVDDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4O/c1-2-15(21,12-6-4-8-14(17)10-12)11-5-3-7-13(9-11)16(18,19)20/h3-10,21H,2H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol?
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 298.28 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 114872417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).