N-(3,3,3-trifluoropropyl)cyclobuten-1-amine

C7H10F3N — CID 175691689

IUPACN-(3,3,3-trifluoropropyl)cyclobuten-1-amine
SMILESFC(F)(F)CCNC1=CCC1
InChIInChI=1S/C7H10F3N/c8-7(9,10)4-5-11-6-2-1-3-6/h2,11H,1,3-5H2
InChIKeyIUPQOJJOYJJNPE-UHFFFAOYSA-N
MW165.16 g/mol
LogP2.21
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)cyclobuten-1-amine

N-(3,3,3-trifluoropropyl)cyclobuten-1-amine (PubChem CID 175691689) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)cyclobuten-1-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)cyclobuten-1-amine
PubChem CID175691689
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC NameN-(3,3,3-trifluoropropyl)cyclobuten-1-amine
SMILESFC(F)(F)CCNC1=CCC1
InChIInChI=1S/C7H10F3N/c8-7(9,10)4-5-11-6-2-1-3-6/h2,11H,1,3-5H2
InChIKeyIUPQOJJOYJJNPE-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)cyclobuten-1-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)cyclobuten-1-amine (CID 175691689) is N-(3,3,3-trifluoropropyl)cyclobuten-1-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)cyclobuten-1-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)cyclobuten-1-amine is FC(F)(F)CCNC1=CCC1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)cyclobuten-1-amine?
The InChIKey is IUPQOJJOYJJNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N/c8-7(9,10)4-5-11-6-2-1-3-6/h2,11H,1,3-5H2.
What are the key properties of N-(3,3,3-trifluoropropyl)cyclobuten-1-amine?
N-(3,3,3-trifluoropropyl)cyclobuten-1-amine has a molecular weight of 165.16 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)cyclobuten-1-amine is sourced from PubChem (CID 175691689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).