N-(3,3-difluoropropyl)azepan-4-amine

C9H18F2N2 — CID 84664120

IUPACN-(3,3-difluoropropyl)azepan-4-amine
SMILESFC(F)CCNC1CCCNCC1
InChIInChI=1S/C9H18F2N2/c10-9(11)4-7-13-8-2-1-5-12-6-3-8/h8-9,12-13H,1-7H2
InChIKeyUYOOPLQGUDCHSL-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.37
Rot. Bonds4

About N-(3,3-difluoropropyl)azepan-4-amine

N-(3,3-difluoropropyl)azepan-4-amine (PubChem CID 84664120) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is N-(3,3-difluoropropyl)azepan-4-amine.

Molecular Properties

Compound NameN-(3,3-difluoropropyl)azepan-4-amine
PubChem CID84664120
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC NameN-(3,3-difluoropropyl)azepan-4-amine
SMILESFC(F)CCNC1CCCNCC1
InChIInChI=1S/C9H18F2N2/c10-9(11)4-7-13-8-2-1-5-12-6-3-8/h8-9,12-13H,1-7H2
InChIKeyUYOOPLQGUDCHSL-UHFFFAOYSA-N
XLogP1.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropropyl)azepan-4-amine?
The IUPAC name of N-(3,3-difluoropropyl)azepan-4-amine (CID 84664120) is N-(3,3-difluoropropyl)azepan-4-amine.
What is the SMILES notation for N-(3,3-difluoropropyl)azepan-4-amine?
The canonical SMILES for N-(3,3-difluoropropyl)azepan-4-amine is FC(F)CCNC1CCCNCC1.
What is the InChIKey of N-(3,3-difluoropropyl)azepan-4-amine?
The InChIKey is UYOOPLQGUDCHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c10-9(11)4-7-13-8-2-1-5-12-6-3-8/h8-9,12-13H,1-7H2.
What are the key properties of N-(3,3-difluoropropyl)azepan-4-amine?
N-(3,3-difluoropropyl)azepan-4-amine has a molecular weight of 192.25 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropropyl)azepan-4-amine is sourced from PubChem (CID 84664120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).