1,1,1,3,3,3-hexafluoro-2-[4-(2-fluorophenyl)phenyl]propan-2-ol

C15H9F7O — CID 175242120

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-(2-fluorophenyl)phenyl]propan-2-ol
SMILESOC(c1ccc(-c2ccccc2F)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H9F7O/c16-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(23,14(17,18)19)15(20,21)22/h1-8,23H
InChIKeyOWUGKELSWIXUAP-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.80
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-[4-(2-fluorophenyl)phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-(2-fluorophenyl)phenyl]propan-2-ol (PubChem CID 175242120) has the molecular formula C15H9F7O and a molecular weight of 338.22 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-(2-fluorophenyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-(2-fluorophenyl)phenyl]propan-2-ol
PubChem CID175242120
Molecular FormulaC15H9F7O
Molecular Weight338.22 g/mol
Exact Mass338.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-(2-fluorophenyl)phenyl]propan-2-ol
SMILESOC(c1ccc(-c2ccccc2F)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H9F7O/c16-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(23,14(17,18)19)15(20,21)22/h1-8,23H
InChIKeyOWUGKELSWIXUAP-UHFFFAOYSA-N
XLogP4.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 175090687
1,4-bis(2-fluorophenyl)benzene
CID 58121760
1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 631065
2-[4-[2-(1,3-benzodioxol-5-yl)phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 46179560
2-[3-(3-chloro-4-fluorophenyl)-4-phenylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 46180961
bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol
CID 161340983
1,1,1,3,3,3-hexafluoro-2-[4-(furan-2-yl)phenyl]propan-2-ol
CID 168524391
CID 87058750
CID 87058750
1,1,1,3,3-pentafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]butan-2-ol
CID 156598959
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol
CID 157119135
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(2-fluorophenyl)phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(2-fluorophenyl)phenyl]propan-2-ol (CID 175242120) is 1,1,1,3,3,3-hexafluoro-2-[4-(2-fluorophenyl)phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-(2-fluorophenyl)phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-(2-fluorophenyl)phenyl]propan-2-ol is OC(c1ccc(-c2ccccc2F)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-(2-fluorophenyl)phenyl]propan-2-ol?
The InChIKey is OWUGKELSWIXUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F7O/c16-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(23,14(17,18)19)15(20,21)22/h1-8,23H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-(2-fluorophenyl)phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-(2-fluorophenyl)phenyl]propan-2-ol has a molecular weight of 338.22 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-(2-fluorophenyl)phenyl]propan-2-ol is sourced from PubChem (CID 175242120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).