2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine

C11H11F4N — CID 107290684

IUPAC2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
SMILESNC1CCC1c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C11H11F4N/c12-9-5-6(7-2-4-10(7)16)1-3-8(9)11(13,14)15/h1,3,5,7,10H,2,4,16H2
InChIKeyFTABGVUXXQANNY-UHFFFAOYSA-N
MW233.21 g/mol
LogP3.05
Rot. Bonds1

About 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine

2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine (PubChem CID 107290684) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
PubChem CID107290684
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
SMILESNC1CCC1c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C11H11F4N/c12-9-5-6(7-2-4-10(7)16)1-3-8(9)11(13,14)15/h1,3,5,7,10H,2,4,16H2
InChIKeyFTABGVUXXQANNY-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 113338650
2-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptan-1-amine
CID 107290007
3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 103852553
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine
CID 107290018
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine
CID 107290013
3-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine
CID 107290040
(2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197362
N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine
CID 107290780
[(3S,4R)-4-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 129009069
3-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methyl-N-propylcyclopentan-1-amine
CID 107290266
2-(3-fluorophenyl)cyclobutan-1-amine
CID 81014796
5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 71247281

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine?
The IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine (CID 107290684) is 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine is NC1CCC1c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine?
The InChIKey is FTABGVUXXQANNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N/c12-9-5-6(7-2-4-10(7)16)1-3-8(9)11(13,14)15/h1,3,5,7,10H,2,4,16H2.
What are the key properties of 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine?
2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine has a molecular weight of 233.21 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 107290684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).