N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine

C12H14F3N — CID 123191642

IUPACN-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
SMILESC=CN(CC(F)(F)F)C1=CC=CCC=C1C
InChIInChI=1S/C12H14F3N/c1-3-16(9-12(13,14)15)11-8-6-4-5-7-10(11)2/h3-4,6-8H,1,5,9H2,2H3
InChIKeyQAXHHQKYVFHLAA-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.78
Rot. Bonds3

About N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine

N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine (PubChem CID 123191642) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound NameN-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
PubChem CID123191642
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC NameN-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
SMILESC=CN(CC(F)(F)F)C1=CC=CCC=C1C
InChIInChI=1S/C12H14F3N/c1-3-16(9-12(13,14)15)11-8-6-4-5-7-10(11)2/h3-4,6-8H,1,5,9H2,2H3
InChIKeyQAXHHQKYVFHLAA-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine?
The IUPAC name of N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine (CID 123191642) is N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine is C=CN(CC(F)(F)F)C1=CC=CCC=C1C.
What is the InChIKey of N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine?
The InChIKey is QAXHHQKYVFHLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-3-16(9-12(13,14)15)11-8-6-4-5-7-10(11)2/h3-4,6-8H,1,5,9H2,2H3.
What are the key properties of N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine?
N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine has a molecular weight of 229.24 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 123191642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).