3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol

C15H13F3O2 — CID 10708008

IUPAC3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol
SMILESOC(C(F)(F)F)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13F3O2/c16-15(17,18)13(19)14(20,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,19-20H
InChIKeyZDSWMBVFLXKTRL-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.85
Rot. Bonds3

About 3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol

3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol (PubChem CID 10708008) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol.

Molecular Properties

Compound Name3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol
PubChem CID10708008
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol
SMILESOC(C(F)(F)F)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13F3O2/c16-15(17,18)13(19)14(20,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,19-20H
InChIKeyZDSWMBVFLXKTRL-UHFFFAOYSA-N
XLogP2.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-trifluoro-3-methyl-3-phenylbutan-2-ol
CID 66466095
1,1-difluoro-1-phenylpropan-2-ol
CID 23235127
bis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene
CID 22506486
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol
CID 157119135
(2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid
CID 168862010
2-chloro-3-hydroxy-3,3-diphenylpropanoic acid
CID 87898633
diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997
(2R,3R)-1,1,4,4-tetrakis[4-(trifluoromethyl)phenyl]butane-1,2,3,4-tetrol
CID 162540226
1-phenylpropan-1-ol;2-phenylpropan-2-ol
CID 174769511
(1S,3R)-1,3-diphenylbutane-1,3-diol
CID 13113333

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol?
The IUPAC name of 3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol (CID 10708008) is 3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol.
What is the SMILES notation for 3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol?
The canonical SMILES for 3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol is OC(C(F)(F)F)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol?
The InChIKey is ZDSWMBVFLXKTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c16-15(17,18)13(19)14(20,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13,19-20H.
What are the key properties of 3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol?
3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol has a molecular weight of 282.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol is sourced from PubChem (CID 10708008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).