N-methyl-2-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine

C9H10F3N — CID 142849700

IUPACN-methyl-2-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
SMILESCNC1=C(C(F)(F)F)C=CCC=C1
InChIInChI=1S/C9H10F3N/c1-13-8-6-4-2-3-5-7(8)9(10,11)12/h3-6,13H,2H2,1H3
InChIKeyVDCUITZGEXTTKC-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.54
Rot. Bonds1

About N-methyl-2-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine

N-methyl-2-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine (PubChem CID 142849700) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is N-methyl-2-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound NameN-methyl-2-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
PubChem CID142849700
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC NameN-methyl-2-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
SMILESCNC1=C(C(F)(F)F)C=CCC=C1
InChIInChI=1S/C9H10F3N/c1-13-8-6-4-2-3-5-7(8)9(10,11)12/h3-6,13H,2H2,1H3
InChIKeyVDCUITZGEXTTKC-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)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
(1E,3Z)-N,5-dimethyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89302512
2-Methyl-5-(trifluoromethyl)-1,2-dihydropyridine
CID 89994792
5-Methyl-2-(trifluoromethyl)-1,2-dihydropyridine
CID 90137192
8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine
CID 91460499
(2Z,4Z)-1,1,1-trifluoro-N-methyl-4-(trifluoromethyl)octa-2,4-dien-2-amine
CID 117913821
6-Methyl-5-(trifluoromethyl)-1,2-dihydropyridine
CID 126694524
(3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine
CID 126710459
5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine
CID 129018806
(2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine
CID 129116402
(3R)-2,7-difluoro-N,3-dimethylcyclohepta-1,4,6-trien-1-amine
CID 130224811

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine?
The IUPAC name of N-methyl-2-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine (CID 142849700) is N-methyl-2-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for N-methyl-2-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for N-methyl-2-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine is CNC1=C(C(F)(F)F)C=CCC=C1.
What is the InChIKey of N-methyl-2-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine?
The InChIKey is VDCUITZGEXTTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-13-8-6-4-2-3-5-7(8)9(10,11)12/h3-6,13H,2H2,1H3.
What are the key properties of N-methyl-2-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine?
N-methyl-2-(trifluoromethyl)cyclohepta-1,3,6-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-2-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 142849700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).