1-(2,4-difluoro-3-methylsulfanylphenyl)cyclobutan-1-amine

C11H13F2NS — CID 117330937

IUPAC1-(2,4-difluoro-3-methylsulfanylphenyl)cyclobutan-1-amine
SMILESCSc1c(F)ccc(C2(N)CCC2)c1F
InChIInChI=1S/C11H13F2NS/c1-15-10-8(12)4-3-7(9(10)13)11(14)5-2-6-11/h3-4H,2,5-6,14H2,1H3
InChIKeyYXHOJZCVOIATPP-UHFFFAOYSA-N
MW229.29 g/mol
LogP3.02
Rot. Bonds2

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

1-(2,4-difluoro-3-methylsulfanylphenyl)cyclobutan-1-amine (PubChem CID 117330937) has the molecular formula C11H13F2NS and a molecular weight of 229.29 g/mol. Its IUPAC name is 1-(2,4-difluoro-3-methylsulfanylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluoro-3-methylsulfanylphenyl)cyclobutan-1-amine
PubChem CID117330937
Molecular FormulaC11H13F2NS
Molecular Weight229.29 g/mol
Exact Mass229.07
IUPAC Name1-(2,4-difluoro-3-methylsulfanylphenyl)cyclobutan-1-amine
SMILESCSc1c(F)ccc(C2(N)CCC2)c1F
InChIInChI=1S/C11H13F2NS/c1-15-10-8(12)4-3-7(9(10)13)11(14)5-2-6-11/h3-4H,2,5-6,14H2,1H3
InChIKeyYXHOJZCVOIATPP-UHFFFAOYSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-difluoro-3-methylsulfanylphenyl)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

1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine
CID 117370183
1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine
CID 117310218
1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine
CID 117287337
1-(2,3-difluorophenyl)cyclobutan-1-amine
CID 83412499
1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine
CID 84777571
4-(1-aminocyclobutyl)-3-fluoroaniline
CID 83412510
3-(1-aminocyclopentyl)-6-fluorobenzene-1,2-diol
CID 117301232
1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
CID 117422276
3-(1-aminocyclohexyl)-6-fluorobenzene-1,2-diol
CID 117323320
1-(2-fluoro-5-methylphenyl)cyclopentan-1-amine
CID 62788352
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401
1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117347352

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-3-methylsulfanylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(2,4-difluoro-3-methylsulfanylphenyl)cyclobutan-1-amine (CID 117330937) is 1-(2,4-difluoro-3-methylsulfanylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(2,4-difluoro-3-methylsulfanylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(2,4-difluoro-3-methylsulfanylphenyl)cyclobutan-1-amine is CSc1c(F)ccc(C2(N)CCC2)c1F.
What is the InChIKey of 1-(2,4-difluoro-3-methylsulfanylphenyl)cyclobutan-1-amine?
The InChIKey is YXHOJZCVOIATPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NS/c1-15-10-8(12)4-3-7(9(10)13)11(14)5-2-6-11/h3-4H,2,5-6,14H2,1H3.
What are the key properties of 1-(2,4-difluoro-3-methylsulfanylphenyl)cyclobutan-1-amine?
1-(2,4-difluoro-3-methylsulfanylphenyl)cyclobutan-1-amine has a molecular weight of 229.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-3-methylsulfanylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117330937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).