4-(difluoromethyl)-1-methylazepan-4-amine

C8H16F2N2 — CID 80605132

IUPAC4-(difluoromethyl)-1-methylazepan-4-amine
SMILESCN1CCCC(N)(C(F)F)CC1
InChIInChI=1S/C8H16F2N2/c1-12-5-2-3-8(11,4-6-12)7(9)10/h7H,2-6,11H2,1H3
InChIKeyJZTCFVYGNWOEOZ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.06
Rot. Bonds1

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

4-(difluoromethyl)-1-methylazepan-4-amine (PubChem CID 80605132) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-methylazepan-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-1-methylazepan-4-amine
PubChem CID80605132
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name4-(difluoromethyl)-1-methylazepan-4-amine
SMILESCN1CCCC(N)(C(F)F)CC1
InChIInChI=1S/C8H16F2N2/c1-12-5-2-3-8(11,4-6-12)7(9)10/h7H,2-6,11H2,1H3
InChIKeyJZTCFVYGNWOEOZ-UHFFFAOYSA-N
XLogP1.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-methylazepan-4-amine?
The IUPAC name of 4-(difluoromethyl)-1-methylazepan-4-amine (CID 80605132) is 4-(difluoromethyl)-1-methylazepan-4-amine.
What is the SMILES notation for 4-(difluoromethyl)-1-methylazepan-4-amine?
The canonical SMILES for 4-(difluoromethyl)-1-methylazepan-4-amine is CN1CCCC(N)(C(F)F)CC1.
What is the InChIKey of 4-(difluoromethyl)-1-methylazepan-4-amine?
The InChIKey is JZTCFVYGNWOEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-12-5-2-3-8(11,4-6-12)7(9)10/h7H,2-6,11H2,1H3.
What are the key properties of 4-(difluoromethyl)-1-methylazepan-4-amine?
4-(difluoromethyl)-1-methylazepan-4-amine has a molecular weight of 178.23 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-methylazepan-4-amine is sourced from PubChem (CID 80605132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).