4,4,4-trifluoro-1-(5-methyloxolan-3-yl)butan-1-amine

C9H16F3NO — CID 104992980

IUPAC4,4,4-trifluoro-1-(5-methyloxolan-3-yl)butan-1-amine
SMILESCC1CC(C(N)CCC(F)(F)F)CO1
InChIInChI=1S/C9H16F3NO/c1-6-4-7(5-14-6)8(13)2-3-9(10,11)12/h6-8H,2-5,13H2,1H3
InChIKeyIMFCAJNHQNKDQW-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.08
Rot. Bonds3

About 4,4,4-trifluoro-1-(5-methyloxolan-3-yl)butan-1-amine

4,4,4-trifluoro-1-(5-methyloxolan-3-yl)butan-1-amine (PubChem CID 104992980) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(5-methyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(5-methyloxolan-3-yl)butan-1-amine
PubChem CID104992980
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4,4,4-trifluoro-1-(5-methyloxolan-3-yl)butan-1-amine
SMILESCC1CC(C(N)CCC(F)(F)F)CO1
InChIInChI=1S/C9H16F3NO/c1-6-4-7(5-14-6)8(13)2-3-9(10,11)12/h6-8H,2-5,13H2,1H3
InChIKeyIMFCAJNHQNKDQW-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-1-(5-methyloxolan-3-yl)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-1-(5-methyloxolan-3-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(5-methyloxolan-3-yl)butan-1-amine (CID 104992980) is 4,4,4-trifluoro-1-(5-methyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(5-methyloxolan-3-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(5-methyloxolan-3-yl)butan-1-amine is CC1CC(C(N)CCC(F)(F)F)CO1.
What is the InChIKey of 4,4,4-trifluoro-1-(5-methyloxolan-3-yl)butan-1-amine?
The InChIKey is IMFCAJNHQNKDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6-4-7(5-14-6)8(13)2-3-9(10,11)12/h6-8H,2-5,13H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(5-methyloxolan-3-yl)butan-1-amine?
4,4,4-trifluoro-1-(5-methyloxolan-3-yl)butan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.08, 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-1-(5-methyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 104992980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).