1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutan-1-amine

C8H14F3NO2 — CID 65351254

IUPAC1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)C1COCCO1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)2-1-6(12)7-5-13-3-4-14-7/h6-7H,1-5,12H2
InChIKeyAKSADXCJTCZHDW-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.07
Rot. Bonds3

About 1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutan-1-amine

1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 65351254) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID65351254
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)C1COCCO1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)2-1-6(12)7-5-13-3-4-14-7/h6-7H,1-5,12H2
InChIKeyAKSADXCJTCZHDW-UHFFFAOYSA-N
XLogP1.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutan-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 1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutan-1-amine (CID 65351254) is 1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutan-1-amine is NC(CCC(F)(F)F)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is AKSADXCJTCZHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)2-1-6(12)7-5-13-3-4-14-7/h6-7H,1-5,12H2.
What are the key properties of 1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutan-1-amine?
1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 213.20 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 65351254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).