N-(3,3-diethoxypropyl)-3,3,3-trifluoropropan-1-amine

C10H20F3NO2 — CID 81094042

IUPACN-(3,3-diethoxypropyl)-3,3,3-trifluoropropan-1-amine
SMILESCCOC(CCNCCC(F)(F)F)OCC
InChIInChI=1S/C10H20F3NO2/c1-3-15-9(16-4-2)5-7-14-8-6-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyCVVHQOAYFVWYMF-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.32
Rot. Bonds9

About N-(3,3-diethoxypropyl)-3,3,3-trifluoropropan-1-amine

N-(3,3-diethoxypropyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 81094042) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-3,3,3-trifluoropropan-1-amine
PubChem CID81094042
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC NameN-(3,3-diethoxypropyl)-3,3,3-trifluoropropan-1-amine
SMILESCCOC(CCNCCC(F)(F)F)OCC
InChIInChI=1S/C10H20F3NO2/c1-3-15-9(16-4-2)5-7-14-8-6-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyCVVHQOAYFVWYMF-UHFFFAOYSA-N
XLogP2.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(3,3-diethoxypropyl)-3,3,3-trifluoropropan-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 N-(3,3-diethoxypropyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-(3,3-diethoxypropyl)-3,3,3-trifluoropropan-1-amine (CID 81094042) is N-(3,3-diethoxypropyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-(3,3-diethoxypropyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-(3,3-diethoxypropyl)-3,3,3-trifluoropropan-1-amine is CCOC(CCNCCC(F)(F)F)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is CVVHQOAYFVWYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-3-15-9(16-4-2)5-7-14-8-6-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of N-(3,3-diethoxypropyl)-3,3,3-trifluoropropan-1-amine?
N-(3,3-diethoxypropyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 243.27 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 81094042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).