2-fluoro-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

C11H11F4N — CID 125425791

IUPAC2-fluoro-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESFc1cc(C(F)(F)F)c2c(n1)CCCCC2
InChIInChI=1S/C11H11F4N/c12-10-6-8(11(13,14)15)7-4-2-1-3-5-9(7)16-10/h6H,1-5H2
InChIKeyNHCDSDIJBWXURK-UHFFFAOYSA-N
MW233.21 g/mol
LogP3.51
Rot. Bonds

About 2-fluoro-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

2-fluoro-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (PubChem CID 125425791) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is 2-fluoro-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name2-fluoro-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
PubChem CID125425791
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name2-fluoro-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESFc1cc(C(F)(F)F)c2c(n1)CCCCC2
InChIInChI=1S/C11H11F4N/c12-10-6-8(11(13,14)15)7-4-2-1-3-5-9(7)16-10/h6H,1-5H2
InChIKeyNHCDSDIJBWXURK-UHFFFAOYSA-N
XLogP3.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-fluoro-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine 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

4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 55186753
9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine
CID 61382811
6,7-difluoro-1,2,3,4-tetrahydroacridin-9-amine
CID 62203448
7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 130466939
2-(azepan-1-yl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 17382095
2-[4-bromo-2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62689493
1,2,4-trifluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63351534
5-fluoro-7-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 55045940
4-chloro-2-(3-fluoro-4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405762
4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 114453916
4-chloro-2-(3-chloro-5-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 90112275
11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 114254573

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The IUPAC name of 2-fluoro-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (CID 125425791) is 2-fluoro-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.
What is the SMILES notation for 2-fluoro-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The canonical SMILES for 2-fluoro-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is Fc1cc(C(F)(F)F)c2c(n1)CCCCC2.
What is the InChIKey of 2-fluoro-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The InChIKey is NHCDSDIJBWXURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N/c12-10-6-8(11(13,14)15)7-4-2-1-3-5-9(7)16-10/h6H,1-5H2.
What are the key properties of 2-fluoro-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
2-fluoro-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine has a molecular weight of 233.21 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is sourced from PubChem (CID 125425791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).