1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine

C11H12F3NS — CID 117370183

IUPAC1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine
SMILESCSc1c(F)cc(C2(N)CCC2)c(F)c1F
InChIInChI=1S/C11H12F3NS/c1-16-10-7(12)5-6(8(13)9(10)14)11(15)3-2-4-11/h5H,2-4,15H2,1H3
InChIKeyLZSAZMVQNPVQNL-UHFFFAOYSA-N
MW247.28 g/mol
LogP3.16
Rot. Bonds2

About 1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine

1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine (PubChem CID 117370183) has the molecular formula C11H12F3NS and a molecular weight of 247.28 g/mol. Its IUPAC name is 1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine
PubChem CID117370183
Molecular FormulaC11H12F3NS
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine
SMILESCSc1c(F)cc(C2(N)CCC2)c(F)c1F
InChIInChI=1S/C11H12F3NS/c1-16-10-7(12)5-6(8(13)9(10)14)11(15)3-2-4-11/h5H,2-4,15H2,1H3
InChIKeyLZSAZMVQNPVQNL-UHFFFAOYSA-N
XLogP3.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluoro-3-methylsulfanylphenyl)cyclobutan-1-amine
CID 117330937
[1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclopropyl]methanamine
CID 117370184
1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84790278
6-(1-aminocyclobutyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117444056
1,2,3,5-tetrafluoro-4-methylsulfanylbenzene
CID 59336372
1-(2,5-difluoro-3-methylsulfonylphenyl)cyclobutan-1-amine
CID 117407145
4-(1-aminocyclobutyl)-3-fluoroaniline
CID 83412510
1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine
CID 117303916
1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine
CID 117287337
1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117299047
1-(3-chloro-5-fluoro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84801370
1-(2,3-difluorophenyl)cyclobutan-1-amine
CID 83412499

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine (CID 117370183) is 1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine is CSc1c(F)cc(C2(N)CCC2)c(F)c1F.
What is the InChIKey of 1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine?
The InChIKey is LZSAZMVQNPVQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NS/c1-16-10-7(12)5-6(8(13)9(10)14)11(15)3-2-4-11/h5H,2-4,15H2,1H3.
What are the key properties of 1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine?
1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine has a molecular weight of 247.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117370183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).