1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol

C16H14F4O — CID 107287362

IUPAC1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol
SMILESCC(c1ccccc1)C(O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C16H14F4O/c1-10(11-5-3-2-4-6-11)15(21)12-7-8-13(14(17)9-12)16(18,19)20/h2-10,15,21H,1H3
InChIKeyQBTNOMBTFGEGBV-UHFFFAOYSA-N
MW298.28 g/mol
LogP4.68
Rot. Bonds3

About 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol

1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol (PubChem CID 107287362) has the molecular formula C16H14F4O and a molecular weight of 298.28 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol
PubChem CID107287362
Molecular FormulaC16H14F4O
Molecular Weight298.28 g/mol
Exact Mass298.10
IUPAC Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol
SMILESCC(c1ccccc1)C(O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C16H14F4O/c1-10(11-5-3-2-4-6-11)15(21)12-7-8-13(14(17)9-12)16(18,19)20/h2-10,15,21H,1H3
InChIKeyQBTNOMBTFGEGBV-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-methylphenyl)-2-phenylpropan-1-ol
CID 107128049
2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
CID 107288624
(1R,2R)-1-(4-fluorophenyl)-2-phenylpropan-1-ol
CID 134955278
1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818370
4-butan-2-yl-2-fluoro-1-(trifluoromethyl)benzene
CID 90930797
3-bromo-1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860512
(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287213
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
2-fluoro-4-[(1S)-1-isocyanatoethyl]-1-(trifluoromethyl)benzene
CID 154659564
2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol
CID 107288626
1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol
CID 107287355
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 103459409

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol (CID 107287362) is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol is CC(c1ccccc1)C(O)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol?
The InChIKey is QBTNOMBTFGEGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4O/c1-10(11-5-3-2-4-6-11)15(21)12-7-8-13(14(17)9-12)16(18,19)20/h2-10,15,21H,1H3.
What are the key properties of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol?
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol has a molecular weight of 298.28 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol is sourced from PubChem (CID 107287362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).