(2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate

C16H11F5O2 — CID 71365812

IUPAC(2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate
SMILESO=C(OC(c1ccccc1)(c1ccccc1)C(F)F)C(F)(F)F
InChIInChI=1S/C16H11F5O2/c17-13(18)15(11-7-3-1-4-8-11,12-9-5-2-6-10-12)23-14(22)16(19,20)21/h1-10,13H
InChIKeyPSKFXOZREMYLNU-UHFFFAOYSA-N
MW330.25 g/mol
LogP4.30
Rot. Bonds4

About (2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate

(2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate (PubChem CID 71365812) has the molecular formula C16H11F5O2 and a molecular weight of 330.25 g/mol. Its IUPAC name is (2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate
PubChem CID71365812
Molecular FormulaC16H11F5O2
Molecular Weight330.25 g/mol
Exact Mass330.07
IUPAC Name(2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate
SMILESO=C(OC(c1ccccc1)(c1ccccc1)C(F)F)C(F)(F)F
InChIInChI=1S/C16H11F5O2/c17-13(18)15(11-7-3-1-4-8-11,12-9-5-2-6-10-12)23-14(22)16(19,20)21/h1-10,13H
InChIKeyPSKFXOZREMYLNU-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[iodo-phenyl-(2,2,2-trifluoroacetyl)oxymethyl] 2,2,2-trifluoroacetate
CID 71744238
bis(2-methyl-1,1-diphenylpropyl) carbonate
CID 70626235
fluoro 2-(difluoromethyl)-3,3-dimethyl-2-phenylbutanoate
CID 90031723
(2,2-dihydroxy-1,1-diphenylethyl) hydrogen carbonate
CID 67932037
methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
(2-fluoro-1-phenylpropyl) 2,2,2-trifluoroacetate
CID 154716345
3,3-difluoro-2-methoxy-2-phenylpropanoyl fluoride
CID 142787315
methyl 3-methyl-2-phenyl-2-silylbutanoate
CID 174683838
benzamide;trifluoromethyl 2,2,2-trifluoroacetate
CID 87606845
2-fluoro-3-hydroxy-3-phenylbutanoic acid
CID 79367352
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
(2,2-diphenylacetyl) 2,2,2-trifluoroacetate
CID 90806086

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate?
The IUPAC name of (2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate (CID 71365812) is (2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate is O=C(OC(c1ccccc1)(c1ccccc1)C(F)F)C(F)(F)F.
What is the InChIKey of (2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate?
The InChIKey is PSKFXOZREMYLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5O2/c17-13(18)15(11-7-3-1-4-8-11,12-9-5-2-6-10-12)23-14(22)16(19,20)21/h1-10,13H.
What are the key properties of (2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate?
(2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate has a molecular weight of 330.25 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-1,1-diphenylethyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 71365812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).