4-(difluoromethyl)-1-ethylazepan-4-amine

C9H18F2N2 — CID 80605600

IUPAC4-(difluoromethyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(N)(C(F)F)CC1
InChIInChI=1S/C9H18F2N2/c1-2-13-6-3-4-9(12,5-7-13)8(10)11/h8H,2-7,12H2,1H3
InChIKeyOWDVABIESQXVRB-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.45
Rot. Bonds2

About 4-(difluoromethyl)-1-ethylazepan-4-amine

4-(difluoromethyl)-1-ethylazepan-4-amine (PubChem CID 80605600) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-ethylazepan-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-1-ethylazepan-4-amine
PubChem CID80605600
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name4-(difluoromethyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(N)(C(F)F)CC1
InChIInChI=1S/C9H18F2N2/c1-2-13-6-3-4-9(12,5-7-13)8(10)11/h8H,2-7,12H2,1H3
InChIKeyOWDVABIESQXVRB-UHFFFAOYSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-ethylazepan-4-amine?
The IUPAC name of 4-(difluoromethyl)-1-ethylazepan-4-amine (CID 80605600) is 4-(difluoromethyl)-1-ethylazepan-4-amine.
What is the SMILES notation for 4-(difluoromethyl)-1-ethylazepan-4-amine?
The canonical SMILES for 4-(difluoromethyl)-1-ethylazepan-4-amine is CCN1CCCC(N)(C(F)F)CC1.
What is the InChIKey of 4-(difluoromethyl)-1-ethylazepan-4-amine?
The InChIKey is OWDVABIESQXVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-2-13-6-3-4-9(12,5-7-13)8(10)11/h8H,2-7,12H2,1H3.
What are the key properties of 4-(difluoromethyl)-1-ethylazepan-4-amine?
4-(difluoromethyl)-1-ethylazepan-4-amine has a molecular weight of 192.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-ethylazepan-4-amine is sourced from PubChem (CID 80605600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).