4,4,4-trifluoro-N-methyl-1-(oxolan-2-yl)butan-2-amine

C9H16F3NO — CID 62603324

IUPAC4,4,4-trifluoro-N-methyl-1-(oxolan-2-yl)butan-2-amine
SMILESCNC(CC1CCCO1)CC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-13-7(6-9(10,11)12)5-8-3-2-4-14-8/h7-8,13H,2-6H2,1H3
InChIKeyJBQVFQRYHOQJAL-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds4

About 4,4,4-trifluoro-N-methyl-1-(oxolan-2-yl)butan-2-amine

4,4,4-trifluoro-N-methyl-1-(oxolan-2-yl)butan-2-amine (PubChem CID 62603324) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-1-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-1-(oxolan-2-yl)butan-2-amine
PubChem CID62603324
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4,4,4-trifluoro-N-methyl-1-(oxolan-2-yl)butan-2-amine
SMILESCNC(CC1CCCO1)CC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-13-7(6-9(10,11)12)5-8-3-2-4-14-8/h7-8,13H,2-6H2,1H3
InChIKeyJBQVFQRYHOQJAL-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-N-methyl-1-(oxolan-2-yl)butan-2-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-N-methyl-1-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-1-(oxolan-2-yl)butan-2-amine (CID 62603324) is 4,4,4-trifluoro-N-methyl-1-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-1-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-1-(oxolan-2-yl)butan-2-amine is CNC(CC1CCCO1)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-1-(oxolan-2-yl)butan-2-amine?
The InChIKey is JBQVFQRYHOQJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13-7(6-9(10,11)12)5-8-3-2-4-14-8/h7-8,13H,2-6H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-1-(oxolan-2-yl)butan-2-amine?
4,4,4-trifluoro-N-methyl-1-(oxolan-2-yl)butan-2-amine has a molecular weight of 211.23 g/mol, XLogP of 2.10, 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-N-methyl-1-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 62603324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).