1-diphenylphosphanyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

C16H13F6OP — CID 87190189

IUPAC1-diphenylphosphanyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESOC(C(C(F)(F)F)C(F)(F)F)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13F6OP/c17-15(18,19)13(16(20,21)22)14(23)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14,23H
InChIKeyDEIYDMRGDUTXKY-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.18
Rot. Bonds4

About 1-diphenylphosphanyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

1-diphenylphosphanyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (PubChem CID 87190189) has the molecular formula C16H13F6OP and a molecular weight of 366.24 g/mol. Its IUPAC name is 1-diphenylphosphanyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.

Molecular Properties

Compound Name1-diphenylphosphanyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
PubChem CID87190189
Molecular FormulaC16H13F6OP
Molecular Weight366.24 g/mol
Exact Mass366.06
IUPAC Name1-diphenylphosphanyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESOC(C(C(F)(F)F)C(F)(F)F)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13F6OP/c17-15(18,19)13(16(20,21)22)14(23)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14,23H
InChIKeyDEIYDMRGDUTXKY-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-diphenylphosphanylethane-1,1,2-triol
CID 174746690
2,2-bis(diphenylphosphanyl)ethanedithioate
CID 102010379
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
bis(2,2-difluoroacetic acid);rhodium;triphenylphosphane
CID 173458456
triphenyl(trifluoromethyl)phosphanium bromide
CID 175212392
diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane
CID 10898452
bis[bis(diphenylphosphanyl)methyl]mercury
CID 71335163
2-diphenylphosphanylethyl(diphenyl)phosphane;palladium;bis(2,2,2-trifluoroacetic acid)
CID 134991896
2-diphenylphosphanylpropanoic acid
CID 14902743
1-diphenylphosphanyl-2,2-difluoroethanone
CID 23414438
3,3,3-trifluoro-1,1-diphenylpropane-1,2-diol
CID 10708008

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphanyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The IUPAC name of 1-diphenylphosphanyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (CID 87190189) is 1-diphenylphosphanyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.
What is the SMILES notation for 1-diphenylphosphanyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The canonical SMILES for 1-diphenylphosphanyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is OC(C(C(F)(F)F)C(F)(F)F)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphanyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The InChIKey is DEIYDMRGDUTXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6OP/c17-15(18,19)13(16(20,21)22)14(23)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14,23H.
What are the key properties of 1-diphenylphosphanyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
1-diphenylphosphanyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol has a molecular weight of 366.24 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is sourced from PubChem (CID 87190189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).