(1,3-difluoro-1,3-diphenylpropan-2-yl)benzene

C21H18F2 — CID 101190524

IUPAC(1,3-difluoro-1,3-diphenylpropan-2-yl)benzene
SMILESFC(c1ccccc1)C(c1ccccc1)C(F)c1ccccc1
InChIInChI=1S/C21H18F2/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(23)18-14-8-3-9-15-18/h1-15,19-21H
InChIKeyICYGQPYEISILDY-UHFFFAOYSA-N
MW308.37 g/mol
LogP6.19
Rot. Bonds5

About (1,3-difluoro-1,3-diphenylpropan-2-yl)benzene

(1,3-difluoro-1,3-diphenylpropan-2-yl)benzene (PubChem CID 101190524) has the molecular formula C21H18F2 and a molecular weight of 308.37 g/mol. Its IUPAC name is (1,3-difluoro-1,3-diphenylpropan-2-yl)benzene.

Molecular Properties

Compound Name(1,3-difluoro-1,3-diphenylpropan-2-yl)benzene
PubChem CID101190524
Molecular FormulaC21H18F2
Molecular Weight308.37 g/mol
Exact Mass308.14
IUPAC Name(1,3-difluoro-1,3-diphenylpropan-2-yl)benzene
SMILESFC(c1ccccc1)C(c1ccccc1)C(F)c1ccccc1
InChIInChI=1S/C21H18F2/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(23)18-14-8-3-9-15-18/h1-15,19-21H
InChIKeyICYGQPYEISILDY-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.37
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,2R)-2-fluoro-1,2-diphenylethanamine
CID 12617058
[fluoro(fluoro)methyl]benzene
CID 146164458
1,2,3-triphenylpropane-1,3-diamine
CID 67052848
N,N,N',N'-tetrafluoro-1,2-diphenylethane-1,2-diamine
CID 23261782
(2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid
CID 23234194
(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropanenitrile
CID 23234191
fluorobenzene;fluoroform
CID 158907062
[fluoro-[fluoro(phenyl)methoxy]methyl]benzene
CID 57162404
(1S)-1,2,2-triphenylethanol
CID 38988933
1,2,3-triphenylpropane-1,3-diol
CID 59738959
(2R,3R)-2-amino-3-fluoro-3-phenylpropanamide
CID 13182012
(1R)-2,2-difluoro-1-phenylethanol
CID 12955760

Frequently Asked Questions

What is the IUPAC name of (1,3-difluoro-1,3-diphenylpropan-2-yl)benzene?
The IUPAC name of (1,3-difluoro-1,3-diphenylpropan-2-yl)benzene (CID 101190524) is (1,3-difluoro-1,3-diphenylpropan-2-yl)benzene.
What is the SMILES notation for (1,3-difluoro-1,3-diphenylpropan-2-yl)benzene?
The canonical SMILES for (1,3-difluoro-1,3-diphenylpropan-2-yl)benzene is FC(c1ccccc1)C(c1ccccc1)C(F)c1ccccc1.
What is the InChIKey of (1,3-difluoro-1,3-diphenylpropan-2-yl)benzene?
The InChIKey is ICYGQPYEISILDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(23)18-14-8-3-9-15-18/h1-15,19-21H.
What are the key properties of (1,3-difluoro-1,3-diphenylpropan-2-yl)benzene?
(1,3-difluoro-1,3-diphenylpropan-2-yl)benzene has a molecular weight of 308.37 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-difluoro-1,3-diphenylpropan-2-yl)benzene is sourced from PubChem (CID 101190524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).