4,4,4-trifluoro-3-(methoxymethyl)butan-1-amine

C6H12F3NO — CID 115013825

IUPAC4,4,4-trifluoro-3-(methoxymethyl)butan-1-amine
SMILESCOCC(CCN)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-11-4-5(2-3-10)6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyOQACDKPOLMBCDM-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.16
Rot. Bonds4

About 4,4,4-trifluoro-3-(methoxymethyl)butan-1-amine

4,4,4-trifluoro-3-(methoxymethyl)butan-1-amine (PubChem CID 115013825) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(methoxymethyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(methoxymethyl)butan-1-amine
PubChem CID115013825
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name4,4,4-trifluoro-3-(methoxymethyl)butan-1-amine
SMILESCOCC(CCN)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-11-4-5(2-3-10)6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyOQACDKPOLMBCDM-UHFFFAOYSA-N
XLogP1.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-3-(methoxymethyl)butan-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-3-(methoxymethyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(methoxymethyl)butan-1-amine (CID 115013825) is 4,4,4-trifluoro-3-(methoxymethyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(methoxymethyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(methoxymethyl)butan-1-amine is COCC(CCN)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(methoxymethyl)butan-1-amine?
The InChIKey is OQACDKPOLMBCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-11-4-5(2-3-10)6(7,8)9/h5H,2-4,10H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-(methoxymethyl)butan-1-amine?
4,4,4-trifluoro-3-(methoxymethyl)butan-1-amine has a molecular weight of 171.16 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(methoxymethyl)butan-1-amine is sourced from PubChem (CID 115013825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).