4,4,4-trifluoro-2-methoxybutan-1-amine

C5H10F3NO — CID 105430601

IUPAC4,4,4-trifluoro-2-methoxybutan-1-amine
SMILESCOC(CN)CC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-10-4(3-9)2-5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyHJZCLZNRFOPINZ-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.91
Rot. Bonds3

About 4,4,4-trifluoro-2-methoxybutan-1-amine

4,4,4-trifluoro-2-methoxybutan-1-amine (PubChem CID 105430601) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-methoxybutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-2-methoxybutan-1-amine
PubChem CID105430601
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name4,4,4-trifluoro-2-methoxybutan-1-amine
SMILESCOC(CN)CC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-10-4(3-9)2-5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyHJZCLZNRFOPINZ-UHFFFAOYSA-N
XLogP0.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-2-methoxybutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-methoxybutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-2-methoxybutan-1-amine (CID 105430601) is 4,4,4-trifluoro-2-methoxybutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-2-methoxybutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-2-methoxybutan-1-amine is COC(CN)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-methoxybutan-1-amine?
The InChIKey is HJZCLZNRFOPINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-10-4(3-9)2-5(6,7)8/h4H,2-3,9H2,1H3.
What are the key properties of 4,4,4-trifluoro-2-methoxybutan-1-amine?
4,4,4-trifluoro-2-methoxybutan-1-amine has a molecular weight of 157.13 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-methoxybutan-1-amine is sourced from PubChem (CID 105430601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).