N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine

C10H12F3N — CID 123513819

IUPACN,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
SMILESC/N=C1\C=C(C(F)(F)F)CCC=C1C
InChIInChI=1S/C10H12F3N/c1-7-4-3-5-8(10(11,12)13)6-9(7)14-2/h4,6H,3,5H2,1-2H3/b14-9+
InChIKeyFAKOLVVHIBMJJL-NTEUORMPSA-N
MW203.21 g/mol
LogP3.29
Rot. Bonds

About N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine

N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine (PubChem CID 123513819) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine.

Molecular Properties

Compound NameN,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
PubChem CID123513819
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC NameN,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
SMILESC/N=C1\C=C(C(F)(F)F)CCC=C1C
InChIInChI=1S/C10H12F3N/c1-7-4-3-5-8(10(11,12)13)6-9(7)14-2/h4,6H,3,5H2,1-2H3/b14-9+
InChIKeyFAKOLVVHIBMJJL-NTEUORMPSA-N
XLogP3.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine?
The IUPAC name of N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine (CID 123513819) is N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine.
What is the SMILES notation for N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine?
The canonical SMILES for N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine is C/N=C1\C=C(C(F)(F)F)CCC=C1C.
What is the InChIKey of N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine?
The InChIKey is FAKOLVVHIBMJJL-NTEUORMPSA-N. The full InChI is InChI=1S/C10H12F3N/c1-7-4-3-5-8(10(11,12)13)6-9(7)14-2/h4,6H,3,5H2,1-2H3/b14-9+.
What are the key properties of N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine?
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine has a molecular weight of 203.21 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine is sourced from PubChem (CID 123513819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).