1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine

C15H20F3N — CID 13083256

IUPAC1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
SMILESCCCC(N)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C15H20F3N/c1-2-5-13(19)14(8-4-9-14)11-6-3-7-12(10-11)15(16,17)18/h3,6-7,10,13H,2,4-5,8-9,19H2,1H3
InChIKeyQPKUMXRRABHNMQ-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.25
Rot. Bonds4

About 1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine

1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine (PubChem CID 13083256) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine.

Molecular Properties

Compound Name1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
PubChem CID13083256
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
SMILESCCCC(N)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C15H20F3N/c1-2-5-13(19)14(8-4-9-14)11-6-3-7-12(10-11)15(16,17)18/h3,6-7,10,13H,2,4-5,8-9,19H2,1H3
InChIKeyQPKUMXRRABHNMQ-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
The IUPAC name of 1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine (CID 13083256) is 1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine.
What is the SMILES notation for 1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
The canonical SMILES for 1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine is CCCC(N)C1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of 1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
The InChIKey is QPKUMXRRABHNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N/c1-2-5-13(19)14(8-4-9-14)11-6-3-7-12(10-11)15(16,17)18/h3,6-7,10,13H,2,4-5,8-9,19H2,1H3.
What are the key properties of 1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine is sourced from PubChem (CID 13083256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).