[(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene

C16H13F3 — CID 132581964

IUPAC[(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene
SMILESFC(F)(F)[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C16H13F3/c17-16(18,19)15(13-9-5-2-6-10-13)11-14(15)12-7-3-1-4-8-12/h1-10,14H,11H2/t14-,15-/m1/s1
InChIKeyPYPIEXIIXZNMPB-HUUCEWRRSA-N
MW262.27 g/mol
LogP4.67
Rot. Bonds2

About [(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene

[(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene (PubChem CID 132581964) has the molecular formula C16H13F3 and a molecular weight of 262.27 g/mol. Its IUPAC name is [(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name[(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene
PubChem CID132581964
Molecular FormulaC16H13F3
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name[(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene
SMILESFC(F)(F)[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C16H13F3/c17-16(18,19)15(13-9-5-2-6-10-13)11-14(15)12-7-3-1-4-8-12/h1-10,14H,11H2/t14-,15-/m1/s1
InChIKeyPYPIEXIIXZNMPB-HUUCEWRRSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-diphenyl-3-(trifluoromethyl)-1,2-dihydroindene
CID 122232215
2,3-diphenyl-2-(trifluoromethyl)oxolane
CID 123227157
1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene
CID 11473198
cis-(1R,2R)-1,2-diphenylcyclopropan-1-ol
CID 165358316
(3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane
CID 101101880
(1,3,3-triphenylcyclobutyl)benzene
CID 101271353
(1,2,2-trimethyl-3-phenylcyclobutyl)benzene
CID 175871621
1-chloro-4-(1,2-diphenylcyclopropyl)benzene
CID 166440166
1-methyl-2,3-diphenyl-2-(trifluoromethyl)piperazine
CID 67615516
(1,2-diphenylcyclopropyl)methanamine
CID 12684736
[3-phenyl-3-(trifluoromethyl)-5-tritio-2,4-dihydropyrrol-4-yl]methanone;yttrium
CID 58077596
7-phenyl-7-(trifluoromethyl)cyclohepta-1,3,5-triene
CID 122232924

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene?
The IUPAC name of [(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene (CID 132581964) is [(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene.
What is the SMILES notation for [(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene?
The canonical SMILES for [(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene is FC(F)(F)[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of [(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene?
The InChIKey is PYPIEXIIXZNMPB-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H13F3/c17-16(18,19)15(13-9-5-2-6-10-13)11-14(15)12-7-3-1-4-8-12/h1-10,14H,11H2/t14-,15-/m1/s1.
What are the key properties of [(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene?
[(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene has a molecular weight of 262.27 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-phenyl-1-(trifluoromethyl)cyclopropyl]benzene is sourced from PubChem (CID 132581964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).