N-(2,2-difluoroethyl)azepan-4-amine

C8H16F2N2 — CID 84656479

IUPACN-(2,2-difluoroethyl)azepan-4-amine
SMILESFC(F)CNC1CCCNCC1
InChIInChI=1S/C8H16F2N2/c9-8(10)6-12-7-2-1-4-11-5-3-7/h7-8,11-12H,1-6H2
InChIKeyCCALTUMCQUWCHH-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.98
Rot. Bonds3

About N-(2,2-difluoroethyl)azepan-4-amine

N-(2,2-difluoroethyl)azepan-4-amine (PubChem CID 84656479) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)azepan-4-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)azepan-4-amine
PubChem CID84656479
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC NameN-(2,2-difluoroethyl)azepan-4-amine
SMILESFC(F)CNC1CCCNCC1
InChIInChI=1S/C8H16F2N2/c9-8(10)6-12-7-2-1-4-11-5-3-7/h7-8,11-12H,1-6H2
InChIKeyCCALTUMCQUWCHH-UHFFFAOYSA-N
XLogP0.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,2-difluoroethyl)azepan-4-amine 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

(3R)-N-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 141191346
1-(azepan-4-ylamino)propan-2-ol
CID 103980928
2-(azepan-4-ylamino)-1-cyclopropylethanol
CID 103982114
1-N-cyclohexyl-2-N-piperidin-4-ylpropane-1,2-diamine
CID 141171838
4-(azepan-4-ylamino)butan-2-ol
CID 103982285
3-[2-(azepan-4-ylamino)ethylsulfanyl]propan-1-ol
CID 106309417
5-(azepan-4-ylamino)pentan-1-ol
CID 107316728
2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol
CID 103982373
2-iodo-N'-piperidin-4-ylpropane-1,3-diamine
CID 139547887
N-(2-piperidin-1-ylethyl)azepan-4-amine
CID 103981872
N-(2-fluoroethyl)piperidin-4-amine
CID 84649097
N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidin-4-amine
CID 54902639

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)azepan-4-amine?
The IUPAC name of N-(2,2-difluoroethyl)azepan-4-amine (CID 84656479) is N-(2,2-difluoroethyl)azepan-4-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)azepan-4-amine?
The canonical SMILES for N-(2,2-difluoroethyl)azepan-4-amine is FC(F)CNC1CCCNCC1.
What is the InChIKey of N-(2,2-difluoroethyl)azepan-4-amine?
The InChIKey is CCALTUMCQUWCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c9-8(10)6-12-7-2-1-4-11-5-3-7/h7-8,11-12H,1-6H2.
What are the key properties of N-(2,2-difluoroethyl)azepan-4-amine?
N-(2,2-difluoroethyl)azepan-4-amine has a molecular weight of 178.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)azepan-4-amine is sourced from PubChem (CID 84656479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).