3-(trifluoromethyl)cyclobutan-1-amine

C5H8F3N — CID 50989715

IUPAC3-(trifluoromethyl)cyclobutan-1-amine
SMILESNC1CC(C(F)(F)F)C1
InChIInChI=1S/C5H8F3N/c6-5(7,8)3-1-4(9)2-3/h3-4H,1-2,9H2
InChIKeyMJHSTECNTRJFSB-UHFFFAOYSA-N
MW139.12 g/mol
LogP1.29
Rot. Bonds

About 3-(trifluoromethyl)cyclobutan-1-amine

3-(trifluoromethyl)cyclobutan-1-amine (PubChem CID 50989715) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is 3-(trifluoromethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)cyclobutan-1-amine
PubChem CID50989715
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name3-(trifluoromethyl)cyclobutan-1-amine
SMILESNC1CC(C(F)(F)F)C1
InChIInChI=1S/C5H8F3N/c6-5(7,8)3-1-4(9)2-3/h3-4H,1-2,9H2
InChIKeyMJHSTECNTRJFSB-UHFFFAOYSA-N
XLogP1.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)cyclobutan-1-amine?
The IUPAC name of 3-(trifluoromethyl)cyclobutan-1-amine (CID 50989715) is 3-(trifluoromethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(trifluoromethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(trifluoromethyl)cyclobutan-1-amine is NC1CC(C(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethyl)cyclobutan-1-amine?
The InChIKey is MJHSTECNTRJFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N/c6-5(7,8)3-1-4(9)2-3/h3-4H,1-2,9H2.
What are the key properties of 3-(trifluoromethyl)cyclobutan-1-amine?
3-(trifluoromethyl)cyclobutan-1-amine has a molecular weight of 139.12 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)cyclobutan-1-amine is sourced from PubChem (CID 50989715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).