N-methyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine

C9H10F3N — CID 142993661

IUPACN-methyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine
SMILESCNC1=CCC(C(F)(F)F)=CC=C1
InChIInChI=1S/C9H10F3N/c1-13-8-4-2-3-7(5-6-8)9(10,11)12/h2-4,6,13H,5H2,1H3
InChIKeyKSSJSRXGUHUDQF-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.54
Rot. Bonds1

About N-methyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine

N-methyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine (PubChem CID 142993661) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine
PubChem CID142993661
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC NameN-methyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine
SMILESCNC1=CCC(C(F)(F)F)=CC=C1
InChIInChI=1S/C9H10F3N/c1-13-8-4-2-3-7(5-6-8)9(10,11)12/h2-4,6,13H,5H2,1H3
InChIKeyKSSJSRXGUHUDQF-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 89153760
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
3-fluoro-N-methylcyclohexa-1,5-dien-1-amine
CID 89291172
(2Z,4Z)-1,1,1-trifluoro-N-methyl-4-(trifluoromethyl)octa-2,4-dien-2-amine
CID 117913821
(3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine
CID 121264680
6-Methyl-5-(trifluoromethyl)-1,2-dihydropyridine
CID 126694524
5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine
CID 129018806
(3R)-2,7-difluoro-N,3-dimethylcyclohepta-1,4,6-trien-1-amine
CID 130224811
(3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-amine
CID 130242942
(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-amine
CID 130242945

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine?
The IUPAC name of N-methyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine (CID 142993661) is N-methyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for N-methyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for N-methyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine is CNC1=CCC(C(F)(F)F)=CC=C1.
What is the InChIKey of N-methyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine?
The InChIKey is KSSJSRXGUHUDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-13-8-4-2-3-7(5-6-8)9(10,11)12/h2-4,6,13H,5H2,1H3.
What are the key properties of N-methyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine?
N-methyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine has a molecular weight of 189.18 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 142993661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).