4,4,4-trifluoro-1-(1,2-oxazol-3-yl)butan-1-amine

C7H9F3N2O — CID 162614404

IUPAC4,4,4-trifluoro-1-(1,2-oxazol-3-yl)butan-1-amine
SMILESNC(CCC(F)(F)F)c1ccon1
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)3-1-5(11)6-2-4-13-12-6/h2,4-5H,1,3,11H2
InChIKeyNWCLUHXMEJWOOQ-UHFFFAOYSA-N
MW194.16 g/mol
LogP2.02
Rot. Bonds3

About 4,4,4-trifluoro-1-(1,2-oxazol-3-yl)butan-1-amine

4,4,4-trifluoro-1-(1,2-oxazol-3-yl)butan-1-amine (PubChem CID 162614404) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1,2-oxazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1,2-oxazol-3-yl)butan-1-amine
PubChem CID162614404
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name4,4,4-trifluoro-1-(1,2-oxazol-3-yl)butan-1-amine
SMILESNC(CCC(F)(F)F)c1ccon1
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)3-1-5(11)6-2-4-13-12-6/h2,4-5H,1,3,11H2
InChIKeyNWCLUHXMEJWOOQ-UHFFFAOYSA-N
XLogP2.02
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1,2-oxazol-3-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(1,2-oxazol-3-yl)butan-1-amine (CID 162614404) is 4,4,4-trifluoro-1-(1,2-oxazol-3-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(1,2-oxazol-3-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(1,2-oxazol-3-yl)butan-1-amine is NC(CCC(F)(F)F)c1ccon1.
What is the InChIKey of 4,4,4-trifluoro-1-(1,2-oxazol-3-yl)butan-1-amine?
The InChIKey is NWCLUHXMEJWOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c8-7(9,10)3-1-5(11)6-2-4-13-12-6/h2,4-5H,1,3,11H2.
What are the key properties of 4,4,4-trifluoro-1-(1,2-oxazol-3-yl)butan-1-amine?
4,4,4-trifluoro-1-(1,2-oxazol-3-yl)butan-1-amine has a molecular weight of 194.16 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1,2-oxazol-3-yl)butan-1-amine is sourced from PubChem (CID 162614404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).