1-[(1R,2R)-2-[(E)-2-phenylethenyl]cyclopropyl]-4-(trifluoromethyl)benzene

C18H15F3 — CID 166071874

IUPAC1-[(1R,2R)-2-[(E)-2-phenylethenyl]cyclopropyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc([C@@H]2C[C@@H]2/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H15F3/c19-18(20,21)16-10-8-14(9-11-16)17-12-15(17)7-6-13-4-2-1-3-5-13/h1-11,15,17H,12H2/b7-6+/t15-,17-/m0/s1
InChIKeyKZDIVYLQAJRGEF-PDZIMXBZSA-N
MW288.31 g/mol
LogP5.52
Rot. Bonds3

About 1-[(1R,2R)-2-[(E)-2-phenylethenyl]cyclopropyl]-4-(trifluoromethyl)benzene

1-[(1R,2R)-2-[(E)-2-phenylethenyl]cyclopropyl]-4-(trifluoromethyl)benzene (PubChem CID 166071874) has the molecular formula C18H15F3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[(1R,2R)-2-[(E)-2-phenylethenyl]cyclopropyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(1R,2R)-2-[(E)-2-phenylethenyl]cyclopropyl]-4-(trifluoromethyl)benzene
PubChem CID166071874
Molecular FormulaC18H15F3
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC Name1-[(1R,2R)-2-[(E)-2-phenylethenyl]cyclopropyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc([C@@H]2C[C@@H]2/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H15F3/c19-18(20,21)16-10-8-14(9-11-16)17-12-15(17)7-6-13-4-2-1-3-5-13/h1-11,15,17H,12H2/b7-6+/t15-,17-/m0/s1
InChIKeyKZDIVYLQAJRGEF-PDZIMXBZSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.31
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442
1-[(1S,2R,5S)-2-ethenyl-5-[(E)-2-phenylethenyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene
CID 101131288
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
2-[(E)-2-phenylethenyl]cyclopropan-1-amine;hydrochloride
CID 122640919
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxirane
CID 59001960
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
1-[(E)-2-[(3R)-3-ethenylcyclopentyl]ethenyl]-4-(trifluoromethyl)benzene
CID 166936181
2-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 62718282
(3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 14181100
(3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 56605871
1-[2-(bromomethyl)cyclopropyl]-4-(trifluoromethyl)benzene
CID 81358226

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-[(E)-2-phenylethenyl]cyclopropyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(1R,2R)-2-[(E)-2-phenylethenyl]cyclopropyl]-4-(trifluoromethyl)benzene (CID 166071874) is 1-[(1R,2R)-2-[(E)-2-phenylethenyl]cyclopropyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(1R,2R)-2-[(E)-2-phenylethenyl]cyclopropyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(1R,2R)-2-[(E)-2-phenylethenyl]cyclopropyl]-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc([C@@H]2C[C@@H]2/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-[(1R,2R)-2-[(E)-2-phenylethenyl]cyclopropyl]-4-(trifluoromethyl)benzene?
The InChIKey is KZDIVYLQAJRGEF-PDZIMXBZSA-N. The full InChI is InChI=1S/C18H15F3/c19-18(20,21)16-10-8-14(9-11-16)17-12-15(17)7-6-13-4-2-1-3-5-13/h1-11,15,17H,12H2/b7-6+/t15-,17-/m0/s1.
What are the key properties of 1-[(1R,2R)-2-[(E)-2-phenylethenyl]cyclopropyl]-4-(trifluoromethyl)benzene?
1-[(1R,2R)-2-[(E)-2-phenylethenyl]cyclopropyl]-4-(trifluoromethyl)benzene has a molecular weight of 288.31 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-[(E)-2-phenylethenyl]cyclopropyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 166071874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).