4,4,4-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-1-amine

C8H11F3N2OS — CID 106923846

IUPAC4,4,4-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-1-amine
SMILESCc1coc(SC(CCN)C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2OS/c1-5-4-14-7(13-5)15-6(2-3-12)8(9,10)11/h4,6H,2-3,12H2,1H3
InChIKeyAVNMLRHKELERGF-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.35
Rot. Bonds4

About 4,4,4-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-1-amine

4,4,4-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-1-amine (PubChem CID 106923846) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-1-amine
PubChem CID106923846
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name4,4,4-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-1-amine
SMILESCc1coc(SC(CCN)C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2OS/c1-5-4-14-7(13-5)15-6(2-3-12)8(9,10)11/h4,6H,2-3,12H2,1H3
InChIKeyAVNMLRHKELERGF-UHFFFAOYSA-N
XLogP2.35
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole
CID 12993962
4-Methylthiomethyl-2-(3,4,4-trifluoro-3-butenylthio)oxazole
CID 12993973
2-(4,4-Difluorobut-3-enylsulfanyl)-4-(trifluoromethyl)-1,3-oxazole
CID 21850560
2-(4,4-Difluorobut-3-enylsulfanyl)-4-methyl-1,3-oxazole
CID 21850590
4-Methyl-2-(trifluoromethylsulfanyl)-1,3-oxazole
CID 144946107
2-(2-Bromo-3,3,3-trifluoropropyl)sulfanyl-4-methyl-1,3-oxazole
CID 106921003
4,4,4-Trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106921975
3,3,3-Trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
CID 106922014
1,1,1-Trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine
CID 106922139
3,3,3-Trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propanenitrile
CID 106922525
3,3,3-trifluoro-N'-hydroxy-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propanimidamide
CID 106922715
3,3,3-Trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]propanimidamide
CID 106922916

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-1-amine (CID 106923846) is 4,4,4-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-1-amine is Cc1coc(SC(CCN)C(F)(F)F)n1.
What is the InChIKey of 4,4,4-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-1-amine?
The InChIKey is AVNMLRHKELERGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-5-4-14-7(13-5)15-6(2-3-12)8(9,10)11/h4,6H,2-3,12H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-1-amine?
4,4,4-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-1-amine has a molecular weight of 240.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-1-amine is sourced from PubChem (CID 106923846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).