1-(difluoromethyl)cyclobutan-1-amine

C5H9F2N — CID 80610519

IUPAC1-(difluoromethyl)cyclobutan-1-amine
SMILESNC1(C(F)F)CCC1
InChIInChI=1S/C5H9F2N/c6-4(7)5(8)2-1-3-5/h4H,1-3,8H2
InChIKeyBABBZOQDMALYMY-UHFFFAOYSA-N
MW121.13 g/mol
LogP1.13
Rot. Bonds1

About 1-(difluoromethyl)cyclobutan-1-amine

1-(difluoromethyl)cyclobutan-1-amine (PubChem CID 80610519) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is 1-(difluoromethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(difluoromethyl)cyclobutan-1-amine
PubChem CID80610519
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name1-(difluoromethyl)cyclobutan-1-amine
SMILESNC1(C(F)F)CCC1
InChIInChI=1S/C5H9F2N/c6-4(7)5(8)2-1-3-5/h4H,1-3,8H2
InChIKeyBABBZOQDMALYMY-UHFFFAOYSA-N
XLogP1.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)cyclobutan-1-amine?
The IUPAC name of 1-(difluoromethyl)cyclobutan-1-amine (CID 80610519) is 1-(difluoromethyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(difluoromethyl)cyclobutan-1-amine?
The canonical SMILES for 1-(difluoromethyl)cyclobutan-1-amine is NC1(C(F)F)CCC1.
What is the InChIKey of 1-(difluoromethyl)cyclobutan-1-amine?
The InChIKey is BABBZOQDMALYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N/c6-4(7)5(8)2-1-3-5/h4H,1-3,8H2.
What are the key properties of 1-(difluoromethyl)cyclobutan-1-amine?
1-(difluoromethyl)cyclobutan-1-amine has a molecular weight of 121.13 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)cyclobutan-1-amine is sourced from PubChem (CID 80610519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).