5-chloro-N-methyl-2-(trifluoromethyl)cyclohepta-2,4,6-trien-1-imine

C9H7ClF3N — CID 146245373

IUPAC5-chloro-N-methyl-2-(trifluoromethyl)cyclohepta-2,4,6-trien-1-imine
SMILESC/N=c1\ccc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C9H7ClF3N/c1-14-8-5-3-6(10)2-4-7(8)9(11,12)13/h2-5H,1H3/b14-8+
InChIKeyJSHOSUWQHMEFJM-RIYZIHGNSA-N
MW221.61 g/mol
LogP2.89
Rot. Bonds

About 5-chloro-N-methyl-2-(trifluoromethyl)cyclohepta-2,4,6-trien-1-imine

5-chloro-N-methyl-2-(trifluoromethyl)cyclohepta-2,4,6-trien-1-imine (PubChem CID 146245373) has the molecular formula C9H7ClF3N and a molecular weight of 221.61 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-(trifluoromethyl)cyclohepta-2,4,6-trien-1-imine.

Molecular Properties

Compound Name5-chloro-N-methyl-2-(trifluoromethyl)cyclohepta-2,4,6-trien-1-imine
PubChem CID146245373
Molecular FormulaC9H7ClF3N
Molecular Weight221.61 g/mol
Exact Mass221.02
IUPAC Name5-chloro-N-methyl-2-(trifluoromethyl)cyclohepta-2,4,6-trien-1-imine
SMILESC/N=c1\ccc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C9H7ClF3N/c1-14-8-5-3-6(10)2-4-7(8)9(11,12)13/h2-5H,1H3/b14-8+
InChIKeyJSHOSUWQHMEFJM-RIYZIHGNSA-N
XLogP2.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.61
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
6-(chloromethylidene)-5-fluoro-N-methylcyclohexa-2,4-dien-1-imine
CID 91491056
2,3-Dichloro-8-(trifluoromethyl)-1-benzazocine
CID 123392164
(3E)-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123905830
(2Z,5E,6E)-7-chloro-5-ethylidene-1,1,1-trifluoro-4-N-methyl-2-N-methylidenenona-2,6,8-triene-2,4-diimine
CID 130243075
(3E)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 130256677
(3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine
CID 135190182
(3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-imine
CID 137506692
3-[(1E,3Z)-2-chloropenta-1,3-dienyl]-4-(difluoromethyl)-2,5-dimethyl-2H-pyrrole
CID 137517764
(3Z)-N-methyl-5-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 141939133
N-[(2Z)-4-chloro-1,1,1-trifluoropenta-2,4-dien-2-yl]-4-ethylcyclohexa-2,4-dien-1-imine
CID 141944715
(6E)-6-(1-chloropropylidene)-3-(1,1-difluoroethyl)-N-methylcyclohexa-2,4-dien-1-imine
CID 142290673

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-(trifluoromethyl)cyclohepta-2,4,6-trien-1-imine?
The IUPAC name of 5-chloro-N-methyl-2-(trifluoromethyl)cyclohepta-2,4,6-trien-1-imine (CID 146245373) is 5-chloro-N-methyl-2-(trifluoromethyl)cyclohepta-2,4,6-trien-1-imine.
What is the SMILES notation for 5-chloro-N-methyl-2-(trifluoromethyl)cyclohepta-2,4,6-trien-1-imine?
The canonical SMILES for 5-chloro-N-methyl-2-(trifluoromethyl)cyclohepta-2,4,6-trien-1-imine is C/N=c1\ccc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 5-chloro-N-methyl-2-(trifluoromethyl)cyclohepta-2,4,6-trien-1-imine?
The InChIKey is JSHOSUWQHMEFJM-RIYZIHGNSA-N. The full InChI is InChI=1S/C9H7ClF3N/c1-14-8-5-3-6(10)2-4-7(8)9(11,12)13/h2-5H,1H3/b14-8+.
What are the key properties of 5-chloro-N-methyl-2-(trifluoromethyl)cyclohepta-2,4,6-trien-1-imine?
5-chloro-N-methyl-2-(trifluoromethyl)cyclohepta-2,4,6-trien-1-imine has a molecular weight of 221.61 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-(trifluoromethyl)cyclohepta-2,4,6-trien-1-imine is sourced from PubChem (CID 146245373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).