1-(difluoromethyl)-N-methylcyclobutan-1-amine

C6H11F2N — CID 80610713

IUPAC1-(difluoromethyl)-N-methylcyclobutan-1-amine
SMILESCNC1(C(F)F)CCC1
InChIInChI=1S/C6H11F2N/c1-9-6(5(7)8)3-2-4-6/h5,9H,2-4H2,1H3
InChIKeyPVHCPMZRLZJVIO-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.39
Rot. Bonds2

About 1-(difluoromethyl)-N-methylcyclobutan-1-amine

1-(difluoromethyl)-N-methylcyclobutan-1-amine (PubChem CID 80610713) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-N-methylcyclobutan-1-amine
PubChem CID80610713
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name1-(difluoromethyl)-N-methylcyclobutan-1-amine
SMILESCNC1(C(F)F)CCC1
InChIInChI=1S/C6H11F2N/c1-9-6(5(7)8)3-2-4-6/h5,9H,2-4H2,1H3
InChIKeyPVHCPMZRLZJVIO-UHFFFAOYSA-N
XLogP1.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-methylcyclobutan-1-amine?
The IUPAC name of 1-(difluoromethyl)-N-methylcyclobutan-1-amine (CID 80610713) is 1-(difluoromethyl)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 1-(difluoromethyl)-N-methylcyclobutan-1-amine?
The canonical SMILES for 1-(difluoromethyl)-N-methylcyclobutan-1-amine is CNC1(C(F)F)CCC1.
What is the InChIKey of 1-(difluoromethyl)-N-methylcyclobutan-1-amine?
The InChIKey is PVHCPMZRLZJVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c1-9-6(5(7)8)3-2-4-6/h5,9H,2-4H2,1H3.
What are the key properties of 1-(difluoromethyl)-N-methylcyclobutan-1-amine?
1-(difluoromethyl)-N-methylcyclobutan-1-amine has a molecular weight of 135.16 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 80610713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).