[1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclopropyl]methanamine

C11H12F3NS — CID 117370184

IUPAC[1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclopropyl]methanamine
SMILESCSc1c(F)cc(C2(CN)CC2)c(F)c1F
InChIInChI=1S/C11H12F3NS/c1-16-10-7(12)4-6(8(13)9(10)14)11(5-15)2-3-11/h4H,2-3,5,15H2,1H3
InChIKeyURSYKBGNZHZJEI-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.82
Rot. Bonds3

About [1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclopropyl]methanamine

[1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclopropyl]methanamine (PubChem CID 117370184) 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)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclopropyl]methanamine
PubChem CID117370184
Molecular FormulaC11H12F3NS
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name[1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclopropyl]methanamine
SMILESCSc1c(F)cc(C2(CN)CC2)c(F)c1F
InChIInChI=1S/C11H12F3NS/c1-16-10-7(12)4-6(8(13)9(10)14)11(5-15)2-3-11/h4H,2-3,5,15H2,1H3
InChIKeyURSYKBGNZHZJEI-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.82
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-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine
CID 117370183
[1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine
CID 75366182
6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol
CID 84785078
[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 84794179
[1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine
CID 84772874
[1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine
CID 117310225
6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol
CID 84792634
1,2,3,5-tetrafluoro-4-methylsulfanylbenzene
CID 59336372
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
[1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117426956
[1-(2,3-difluoro-5-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117351296
[1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine
CID 117372344

Frequently Asked Questions

What is the IUPAC name of [1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclopropyl]methanamine (CID 117370184) is [1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclopropyl]methanamine is CSc1c(F)cc(C2(CN)CC2)c(F)c1F.
What is the InChIKey of [1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclopropyl]methanamine?
The InChIKey is URSYKBGNZHZJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NS/c1-16-10-7(12)4-6(8(13)9(10)14)11(5-15)2-3-11/h4H,2-3,5,15H2,1H3.
What are the key properties of [1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclopropyl]methanamine?
[1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclopropyl]methanamine has a molecular weight of 247.28 g/mol, XLogP of 2.82, 3 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)cyclopropyl]methanamine is sourced from PubChem (CID 117370184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).