4-(difluoromethyl)-N-methyloxepan-4-amine

C8H15F2NO — CID 80605984

IUPAC4-(difluoromethyl)-N-methyloxepan-4-amine
SMILESCNC1(C(F)F)CCCOCC1
InChIInChI=1S/C8H15F2NO/c1-11-8(7(9)10)3-2-5-12-6-4-8/h7,11H,2-6H2,1H3
InChIKeyMPWHJXZMOJBKQU-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.41
Rot. Bonds2

About 4-(difluoromethyl)-N-methyloxepan-4-amine

4-(difluoromethyl)-N-methyloxepan-4-amine (PubChem CID 80605984) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-methyloxepan-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-N-methyloxepan-4-amine
PubChem CID80605984
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name4-(difluoromethyl)-N-methyloxepan-4-amine
SMILESCNC1(C(F)F)CCCOCC1
InChIInChI=1S/C8H15F2NO/c1-11-8(7(9)10)3-2-5-12-6-4-8/h7,11H,2-6H2,1H3
InChIKeyMPWHJXZMOJBKQU-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-methyloxepan-4-amine?
The IUPAC name of 4-(difluoromethyl)-N-methyloxepan-4-amine (CID 80605984) is 4-(difluoromethyl)-N-methyloxepan-4-amine.
What is the SMILES notation for 4-(difluoromethyl)-N-methyloxepan-4-amine?
The canonical SMILES for 4-(difluoromethyl)-N-methyloxepan-4-amine is CNC1(C(F)F)CCCOCC1.
What is the InChIKey of 4-(difluoromethyl)-N-methyloxepan-4-amine?
The InChIKey is MPWHJXZMOJBKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-11-8(7(9)10)3-2-5-12-6-4-8/h7,11H,2-6H2,1H3.
What are the key properties of 4-(difluoromethyl)-N-methyloxepan-4-amine?
4-(difluoromethyl)-N-methyloxepan-4-amine has a molecular weight of 179.21 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-methyloxepan-4-amine is sourced from PubChem (CID 80605984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).