N-[2-(trifluoromethyl)phenyl]sulfanylcyclobutanamine

C11H12F3NS — CID 156543553

IUPACN-[2-(trifluoromethyl)phenyl]sulfanylcyclobutanamine
SMILESFC(F)(F)c1ccccc1SNC1CCC1
InChIInChI=1S/C11H12F3NS/c12-11(13,14)9-6-1-2-7-10(9)16-15-8-4-3-5-8/h1-2,6-8,15H,3-5H2
InChIKeyABOQIIBBULQABG-UHFFFAOYSA-N
MW247.28 g/mol
LogP3.85
Rot. Bonds3

About N-[2-(trifluoromethyl)phenyl]sulfanylcyclobutanamine

N-[2-(trifluoromethyl)phenyl]sulfanylcyclobutanamine (PubChem CID 156543553) has the molecular formula C11H12F3NS and a molecular weight of 247.28 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]sulfanylcyclobutanamine.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]sulfanylcyclobutanamine
PubChem CID156543553
Molecular FormulaC11H12F3NS
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC NameN-[2-(trifluoromethyl)phenyl]sulfanylcyclobutanamine
SMILESFC(F)(F)c1ccccc1SNC1CCC1
InChIInChI=1S/C11H12F3NS/c12-11(13,14)9-6-1-2-7-10(9)16-15-8-4-3-5-8/h1-2,6-8,15H,3-5H2
InChIKeyABOQIIBBULQABG-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 64986342
cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
CID 64986967
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 64986702
1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117245560
3-[2-(trifluoromethyl)phenyl]sulfanylazetidine
CID 105492427
2-[[2-(trifluoromethyl)phenyl]sulfanylmethyl]azetidine
CID 115070917
N-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65384743
N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63413337
(S)-cyclopentyl-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171226251
cyclohexyl-[2-(trifluoromethyl)phenyl]methanol
CID 62801472
N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline
CID 43362736
1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 106738164

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]sulfanylcyclobutanamine?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]sulfanylcyclobutanamine (CID 156543553) is N-[2-(trifluoromethyl)phenyl]sulfanylcyclobutanamine.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]sulfanylcyclobutanamine?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]sulfanylcyclobutanamine is FC(F)(F)c1ccccc1SNC1CCC1.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]sulfanylcyclobutanamine?
The InChIKey is ABOQIIBBULQABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NS/c12-11(13,14)9-6-1-2-7-10(9)16-15-8-4-3-5-8/h1-2,6-8,15H,3-5H2.
What are the key properties of N-[2-(trifluoromethyl)phenyl]sulfanylcyclobutanamine?
N-[2-(trifluoromethyl)phenyl]sulfanylcyclobutanamine has a molecular weight of 247.28 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]sulfanylcyclobutanamine is sourced from PubChem (CID 156543553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).