1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene

C22H17F3 — CID 11473198

IUPAC1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C2CC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H17F3/c23-22(24,25)19-13-11-16(12-14-19)20-15-21(20,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20H,15H2
InChIKeyPMGRNXSEYDRBAO-UHFFFAOYSA-N
MW338.37 g/mol
LogP6.18
Rot. Bonds3

About 1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene

1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene (PubChem CID 11473198) has the molecular formula C22H17F3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene
PubChem CID11473198
Molecular FormulaC22H17F3
Molecular Weight338.37 g/mol
Exact Mass338.13
IUPAC Name1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C2CC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H17F3/c23-22(24,25)19-13-11-16(12-14-19)20-15-21(20,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20H,15H2
InChIKeyPMGRNXSEYDRBAO-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.37
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[(1R)-2,2-diphenylcyclopropyl]pyridine
CID 7103626
3-methyl-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 58725221
trans-(1S,2R)-1-methyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 165456562
(5S)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 59512024
1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
CID 154308793
(1R,5S,7S)-5-phenyl-7-[4-(trifluoromethyl)phenyl]-6,8-dioxabicyclo[3.2.1]octan-2-one
CID 102277256
[(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene
CID 132581964
(2R,3S)-1,3-diphenyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 132528343
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
cis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 90212559

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene (CID 11473198) is 1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(C2CC2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene?
The InChIKey is PMGRNXSEYDRBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3/c23-22(24,25)19-13-11-16(12-14-19)20-15-21(20,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20H,15H2.
What are the key properties of 1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene?
1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene has a molecular weight of 338.37 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 11473198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).