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

C8H16F2N2 — CID 115015148

IUPAC4-(2,2-difluoroethyl)azepan-4-amine
SMILESNC1(CC(F)F)CCCNCC1
InChIInChI=1S/C8H16F2N2/c9-7(10)6-8(11)2-1-4-12-5-3-8/h7,12H,1-6,11H2
InChIKeyADONZPUZBIRWTB-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.11
Rot. Bonds2

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

4-(2,2-difluoroethyl)azepan-4-amine (PubChem CID 115015148) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)azepan-4-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)azepan-4-amine
PubChem CID115015148
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name4-(2,2-difluoroethyl)azepan-4-amine
SMILESNC1(CC(F)F)CCCNCC1
InChIInChI=1S/C8H16F2N2/c9-7(10)6-8(11)2-1-4-12-5-3-8/h7,12H,1-6,11H2
InChIKeyADONZPUZBIRWTB-UHFFFAOYSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)azepan-4-amine?
The IUPAC name of 4-(2,2-difluoroethyl)azepan-4-amine (CID 115015148) is 4-(2,2-difluoroethyl)azepan-4-amine.
What is the SMILES notation for 4-(2,2-difluoroethyl)azepan-4-amine?
The canonical SMILES for 4-(2,2-difluoroethyl)azepan-4-amine is NC1(CC(F)F)CCCNCC1.
What is the InChIKey of 4-(2,2-difluoroethyl)azepan-4-amine?
The InChIKey is ADONZPUZBIRWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c9-7(10)6-8(11)2-1-4-12-5-3-8/h7,12H,1-6,11H2.
What are the key properties of 4-(2,2-difluoroethyl)azepan-4-amine?
4-(2,2-difluoroethyl)azepan-4-amine has a molecular weight of 178.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)azepan-4-amine is sourced from PubChem (CID 115015148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).