N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine

C9H10F3N — CID 142546381

IUPACN-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine
SMILESC/N=C/C1=CC(C(F)(F)F)=CCC1
InChIInChI=1S/C9H10F3N/c1-13-6-7-3-2-4-8(5-7)9(10,11)12/h4-6H,2-3H2,1H3/b13-6+
InChIKeyHSZDAPZHLZZACY-AWNIVKPZSA-N
MW189.18 g/mol
LogP2.90
Rot. Bonds1

About N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine

N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine (PubChem CID 142546381) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine
PubChem CID142546381
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC NameN-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine
SMILESC/N=C/C1=CC(C(F)(F)F)=CCC1
InChIInChI=1S/C9H10F3N/c1-13-6-7-3-2-4-8(5-7)9(10,11)12/h4-6H,2-3H2,1H3/b13-6+
InChIKeyHSZDAPZHLZZACY-AWNIVKPZSA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-6,6,6-trifluoro-5-methyl-2-propylhexa-2,4-dien-1-imine
CID 89697918
N,3-dimethyl-4-methylidene-6-(trifluoromethyl)octa-2,5,7-trien-1-imine
CID 90705158
7,7,7-trifluoro-N,3,6-trimethyl-4-methylidenehepta-2,5-dien-1-imine
CID 90705914
N-butan-2-yl-2-ethylidene-4-methyl-3-(trifluoromethyl)hex-3-en-1-imine
CID 123348293
N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 123408100
2,5-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 123496912
(4E,6Z)-3-methyl-5-(trifluoromethyl)-2,3,8,9-tetrahydroazecine
CID 129171155
(2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine
CID 129276493
(2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine
CID 130390089
(E,2E,3Z)-4-ethyl-N-(methylideneamino)-2-(2,2,2-trifluoroethylidene)hexa-3,5-dien-1-imine
CID 134444981
(E,2E)-2-(3,3-difluorobutan-2-ylidene)-N,3,5,5-tetramethylhept-3-en-1-imine
CID 134466286
(E,2E)-N,3,5,5-tetramethyl-2-(1,1,1-trifluoropropan-2-ylidene)hept-3-en-1-imine
CID 134466390

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine (CID 142546381) is N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine is C/N=C/C1=CC(C(F)(F)F)=CCC1.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine?
The InChIKey is HSZDAPZHLZZACY-AWNIVKPZSA-N. The full InChI is InChI=1S/C9H10F3N/c1-13-6-7-3-2-4-8(5-7)9(10,11)12/h4-6H,2-3H2,1H3/b13-6+.
What are the key properties of N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine?
N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine has a molecular weight of 189.18 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanimine is sourced from PubChem (CID 142546381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).