4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine

C8H11F3N2O — CID 106417588

IUPAC4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine
SMILESFC(F)(F)CCCNCc1ccno1
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)3-1-4-12-6-7-2-5-13-14-7/h2,5,12H,1,3-4,6H2
InChIKeyYSRUKMODDBKLMH-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.11
Rot. Bonds5

About 4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine

4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine (PubChem CID 106417588) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine
PubChem CID106417588
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine
SMILESFC(F)(F)CCCNCc1ccno1
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)3-1-4-12-6-7-2-5-13-14-7/h2,5,12H,1,3-4,6H2
InChIKeyYSRUKMODDBKLMH-UHFFFAOYSA-N
XLogP2.11
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2-oxazol-5-ylmethyl)cyclooctanamine
CID 103604816
Isoxazol-5-ylmethanamine hydrochloride
CID 18442593
1-(1,2-Oxazol-5-yl)methanamine
CID 18442594
N'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 70457956
2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 104600349
5-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 71986501
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258437
3,3,3-Trifluoro-2-methyl-2-(1,2-oxazol-5-ylmethylamino)propanoic acid
CID 79789409
N-(1,2-oxazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 103616141
2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 103829349
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103864934
1-(1,2-Oxazol-5-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 103951484

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine (CID 106417588) is 4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine is FC(F)(F)CCCNCc1ccno1.
What is the InChIKey of 4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine?
The InChIKey is YSRUKMODDBKLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c9-8(10,11)3-1-4-12-6-7-2-5-13-14-7/h2,5,12H,1,3-4,6H2.
What are the key properties of 4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine?
4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine has a molecular weight of 208.18 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine is sourced from PubChem (CID 106417588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).