6-ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine

C14H16F3N — CID 123877213

IUPAC6-ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine
SMILESCCC1=CCCC(C)=C2C=CC(C(F)(F)F)=CN12
InChIInChI=1S/C14H16F3N/c1-3-12-6-4-5-10(2)13-8-7-11(9-18(12)13)14(15,16)17/h6-9H,3-5H2,1-2H3
InChIKeyFZHGQIQALCAPOU-UHFFFAOYSA-N
MW255.28 g/mol
LogP4.67
Rot. Bonds1

About 6-ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine

6-ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine (PubChem CID 123877213) has the molecular formula C14H16F3N and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine.

Molecular Properties

Compound Name6-ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine
PubChem CID123877213
Molecular FormulaC14H16F3N
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name6-ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine
SMILESCCC1=CCCC(C)=C2C=CC(C(F)(F)F)=CN12
InChIInChI=1S/C14H16F3N/c1-3-12-6-4-5-10(2)13-8-7-11(9-18(12)13)14(15,16)17/h6-9H,3-5H2,1-2H3
InChIKeyFZHGQIQALCAPOU-UHFFFAOYSA-N
XLogP4.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,8-Dimethyl-10,10a-dihydropyrido[1,2-a]azepine
CID 21597242
4,8,10a-trimethyl-10H-pyrido[1,2-a]azepine
CID 21597247
2-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
CID 67473380
9-(trifluoromethyl)-4H-quinolizine
CID 88314887
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
1-[5-(Trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
CID 91262904
1-(Difluoromethyl)-2-methylidene-5-propan-2-ylpyridine
CID 117878111
2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123161901
N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
CID 123191642
N,N,3-trimethyl-6-(trifluoromethyl)deca-2,4,6-trien-4-amine
CID 123265710
1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
CID 123548735
1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine?
The IUPAC name of 6-ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine (CID 123877213) is 6-ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine.
What is the SMILES notation for 6-ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine?
The canonical SMILES for 6-ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine is CCC1=CCCC(C)=C2C=CC(C(F)(F)F)=CN12.
What is the InChIKey of 6-ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine?
The InChIKey is FZHGQIQALCAPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N/c1-3-12-6-4-5-10(2)13-8-7-11(9-18(12)13)14(15,16)17/h6-9H,3-5H2,1-2H3.
What are the key properties of 6-ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine?
6-ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine has a molecular weight of 255.28 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine is sourced from PubChem (CID 123877213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).