diphenylmethanone;fluoroform;2,2,2-trifluoro-1,1-diphenylethanol

C28H22F6O2 — CID 158244251

IUPACdiphenylmethanone;fluoroform;2,2,2-trifluoro-1,1-diphenylethanol
SMILESFC(F)F.O=C(c1ccccc1)c1ccccc1.OC(c1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H11F3O.C13H10O.CHF3/c15-14(16,17)13(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3)4/h1-10,18H;1-10H;1H
InChIKeyGFXSFYWZLIHIML-UHFFFAOYSA-N
MW504.47 g/mol
LogP7.58
Rot. Bonds4

About diphenylmethanone;fluoroform;2,2,2-trifluoro-1,1-diphenylethanol

diphenylmethanone;fluoroform;2,2,2-trifluoro-1,1-diphenylethanol (PubChem CID 158244251) has the molecular formula C28H22F6O2 and a molecular weight of 504.47 g/mol. Its IUPAC name is diphenylmethanone;fluoroform;2,2,2-trifluoro-1,1-diphenylethanol.

Molecular Properties

Compound Namediphenylmethanone;fluoroform;2,2,2-trifluoro-1,1-diphenylethanol
PubChem CID158244251
Molecular FormulaC28H22F6O2
Molecular Weight504.47 g/mol
Exact Mass504.15
IUPAC Namediphenylmethanone;fluoroform;2,2,2-trifluoro-1,1-diphenylethanol
SMILESFC(F)F.O=C(c1ccccc1)c1ccccc1.OC(c1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H11F3O.C13H10O.CHF3/c15-14(16,17)13(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3)4/h1-10,18H;1-10H;1H
InChIKeyGFXSFYWZLIHIML-UHFFFAOYSA-N
XLogP7.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.47
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of diphenylmethanone;fluoroform;2,2,2-trifluoro-1,1-diphenylethanol?
The IUPAC name of diphenylmethanone;fluoroform;2,2,2-trifluoro-1,1-diphenylethanol (CID 158244251) is diphenylmethanone;fluoroform;2,2,2-trifluoro-1,1-diphenylethanol.
What is the SMILES notation for diphenylmethanone;fluoroform;2,2,2-trifluoro-1,1-diphenylethanol?
The canonical SMILES for diphenylmethanone;fluoroform;2,2,2-trifluoro-1,1-diphenylethanol is FC(F)F.O=C(c1ccccc1)c1ccccc1.OC(c1ccccc1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of diphenylmethanone;fluoroform;2,2,2-trifluoro-1,1-diphenylethanol?
The InChIKey is GFXSFYWZLIHIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O.C13H10O.CHF3/c15-14(16,17)13(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3)4/h1-10,18H;1-10H;1H.
What are the key properties of diphenylmethanone;fluoroform;2,2,2-trifluoro-1,1-diphenylethanol?
diphenylmethanone;fluoroform;2,2,2-trifluoro-1,1-diphenylethanol has a molecular weight of 504.47 g/mol, XLogP of 7.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanone;fluoroform;2,2,2-trifluoro-1,1-diphenylethanol is sourced from PubChem (CID 158244251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).