4-fluoro-4-(3-fluoro-4-pyridinyl)azepane

C11H14F2N2 — CID 104739540

IUPAC4-fluoro-4-(3-fluoro-4-pyridinyl)azepane
SMILESFc1cnccc1C1(F)CCCNCC1
InChIInChI=1S/C11H14F2N2/c12-10-8-15-6-2-9(10)11(13)3-1-5-14-7-4-11/h2,6,8,14H,1,3-5,7H2
InChIKeyGFEMECMDRNPNQE-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.16
Rot. Bonds1

About 4-fluoro-4-(3-fluoro-4-pyridinyl)azepane

4-fluoro-4-(3-fluoro-4-pyridinyl)azepane (PubChem CID 104739540) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 4-fluoro-4-(3-fluoro-4-pyridinyl)azepane.

Molecular Properties

Compound Name4-fluoro-4-(3-fluoro-4-pyridinyl)azepane
PubChem CID104739540
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name4-fluoro-4-(3-fluoro-4-pyridinyl)azepane
SMILESFc1cnccc1C1(F)CCCNCC1
InChIInChI=1S/C11H14F2N2/c12-10-8-15-6-2-9(10)11(13)3-1-5-14-7-4-11/h2,6,8,14H,1,3-5,7H2
InChIKeyGFEMECMDRNPNQE-UHFFFAOYSA-N
XLogP2.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-4-(3-fluoro-4-pyridinyl)azepane 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-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine
CID 104738401
4-(2,4-difluorophenyl)-4-fluoropiperidine
CID 71239192
5-(4-fluoroazepan-4-yl)-1,2-thiazole
CID 130856979
1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol
CID 104737486
4-(3-fluoro-4-pyridinyl)oxepan-4-amine
CID 104737796
6-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexan-6-ol
CID 79331450
4-fluoro-4-(4-phenylphenyl)azepane
CID 103983972
4-fluoro-4-(4-propan-2-ylphenyl)azepane
CID 113361786
4-fluoro-4-(5-methylthiophen-2-yl)azepane
CID 103983843
1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine
CID 104737792
4-fluoro-4-(3-methylphenyl)azepane
CID 103984030
3-chloro-4-(4-ethylpiperidin-4-yl)pyridine
CID 138614321

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(3-fluoro-4-pyridinyl)azepane?
The IUPAC name of 4-fluoro-4-(3-fluoro-4-pyridinyl)azepane (CID 104739540) is 4-fluoro-4-(3-fluoro-4-pyridinyl)azepane.
What is the SMILES notation for 4-fluoro-4-(3-fluoro-4-pyridinyl)azepane?
The canonical SMILES for 4-fluoro-4-(3-fluoro-4-pyridinyl)azepane is Fc1cnccc1C1(F)CCCNCC1.
What is the InChIKey of 4-fluoro-4-(3-fluoro-4-pyridinyl)azepane?
The InChIKey is GFEMECMDRNPNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c12-10-8-15-6-2-9(10)11(13)3-1-5-14-7-4-11/h2,6,8,14H,1,3-5,7H2.
What are the key properties of 4-fluoro-4-(3-fluoro-4-pyridinyl)azepane?
4-fluoro-4-(3-fluoro-4-pyridinyl)azepane has a molecular weight of 212.24 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(3-fluoro-4-pyridinyl)azepane is sourced from PubChem (CID 104739540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).