4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-1-amine

C7H10F3N3OS — CID 62253286

IUPAC4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-1-amine
SMILESCc1nnc(SC(CCN)C(F)(F)F)o1
InChIInChI=1S/C7H10F3N3OS/c1-4-12-13-6(14-4)15-5(2-3-11)7(8,9)10/h5H,2-3,11H2,1H3
InChIKeyKYSIHVCICYSOKO-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.75
Rot. Bonds4

About 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-1-amine

4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-1-amine (PubChem CID 62253286) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-1-amine
PubChem CID62253286
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-1-amine
SMILESCc1nnc(SC(CCN)C(F)(F)F)o1
InChIInChI=1S/C7H10F3N3OS/c1-4-12-13-6(14-4)15-5(2-3-11)7(8,9)10/h5H,2-3,11H2,1H3
InChIKeyKYSIHVCICYSOKO-UHFFFAOYSA-N
XLogP1.75
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-1-amine (CID 62253286) is 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-1-amine is Cc1nnc(SC(CCN)C(F)(F)F)o1.
What is the InChIKey of 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-1-amine?
The InChIKey is KYSIHVCICYSOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c1-4-12-13-6(14-4)15-5(2-3-11)7(8,9)10/h5H,2-3,11H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-1-amine?
4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-1-amine has a molecular weight of 241.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-1-amine is sourced from PubChem (CID 62253286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).