3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine

C9H5ClF3N — CID 122231187

IUPAC3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine
SMILESFC(F)(F)C1N=C1c1ccc(Cl)cc1
InChIInChI=1S/C9H5ClF3N/c10-6-3-1-5(2-4-6)7-8(14-7)9(11,12)13/h1-4,8H
InChIKeyJPVOJAMCMMLRAD-UHFFFAOYSA-N
MW219.59 g/mol
LogP3.07
Rot. Bonds1

About 3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine

3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine (PubChem CID 122231187) has the molecular formula C9H5ClF3N and a molecular weight of 219.59 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine
PubChem CID122231187
Molecular FormulaC9H5ClF3N
Molecular Weight219.59 g/mol
Exact Mass219.01
IUPAC Name3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine
SMILESFC(F)(F)C1N=C1c1ccc(Cl)cc1
InChIInChI=1S/C9H5ClF3N/c10-6-3-1-5(2-4-6)7-8(14-7)9(11,12)13/h1-4,8H
InChIKeyJPVOJAMCMMLRAD-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.59
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-Chlorophenyl)-3,4-dihydro-2H-pyrrole
CID 11019446
5-(4-Chlorophenyl)-2-(trifluoromethyl)-3,4-dihydropyridin-4-amine
CID 155539681
N-[(1S)-1-(4-chlorophenyl)-2,2,3,3-tetrafluoropent-4-enyl]-1-phenylethanimine
CID 178251667
4,4-Dichloro-5-(4-chlorophenyl)-2,3-dihydropyrrole
CID 11010330
3-(4-chlorophenyl)-2H-azirine
CID 11768757
(1E)-N-Benzyl-1-(4-chlorophenyl)ethan-1-imine
CID 12792992
1-(4-chlorophenyl)-N-methylethanimine
CID 85579388
2-(4-chlorophenyl)-3-phenyl-2H-azirine
CID 101583182
Ethanimidoyl chloride, N-[(4-chlorophenyl)methyl]-2,2,2-trifluoro-
CID 10988866
(1Z)-4-chloro-N-(1-chloro-2,2,2-trifluoroethyl)benzenecarboximidoyl chloride
CID 11208537
Benzenecarboximidoyl chloride, 4-chloro-N-(2,2,2-trifluoroethyl)-
CID 11807271
1-(4-Chlorophenyl)-2,2,2-trifluoroethanimine
CID 12236288

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine?
The IUPAC name of 3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine (CID 122231187) is 3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine is FC(F)(F)C1N=C1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine?
The InChIKey is JPVOJAMCMMLRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N/c10-6-3-1-5(2-4-6)7-8(14-7)9(11,12)13/h1-4,8H.
What are the key properties of 3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine?
3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine has a molecular weight of 219.59 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(trifluoromethyl)-2H-azirine is sourced from PubChem (CID 122231187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).