1-(trifluoromethyl)cyclobutan-1-amine

C5H8F3N — CID 50989630

IUPAC1-(trifluoromethyl)cyclobutan-1-amine
SMILESNC1(C(F)(F)F)CCC1
InChIInChI=1S/C5H8F3N/c6-5(7,8)4(9)2-1-3-4/h1-3,9H2
InChIKeyUYHQDFQKVUGCAQ-UHFFFAOYSA-N
MW139.12 g/mol
LogP1.43
Rot. Bonds

About 1-(trifluoromethyl)cyclobutan-1-amine

1-(trifluoromethyl)cyclobutan-1-amine (PubChem CID 50989630) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is 1-(trifluoromethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(trifluoromethyl)cyclobutan-1-amine
PubChem CID50989630
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name1-(trifluoromethyl)cyclobutan-1-amine
SMILESNC1(C(F)(F)F)CCC1
InChIInChI=1S/C5H8F3N/c6-5(7,8)4(9)2-1-3-4/h1-3,9H2
InChIKeyUYHQDFQKVUGCAQ-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)cyclobutan-1-amine?
The IUPAC name of 1-(trifluoromethyl)cyclobutan-1-amine (CID 50989630) is 1-(trifluoromethyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(trifluoromethyl)cyclobutan-1-amine?
The canonical SMILES for 1-(trifluoromethyl)cyclobutan-1-amine is NC1(C(F)(F)F)CCC1.
What is the InChIKey of 1-(trifluoromethyl)cyclobutan-1-amine?
The InChIKey is UYHQDFQKVUGCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N/c6-5(7,8)4(9)2-1-3-4/h1-3,9H2.
What are the key properties of 1-(trifluoromethyl)cyclobutan-1-amine?
1-(trifluoromethyl)cyclobutan-1-amine has a molecular weight of 139.12 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)cyclobutan-1-amine is sourced from PubChem (CID 50989630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).