1,1,2-trifluoro-3,3-dimethoxy-N-methylpropan-1-amine

C6H12F3NO2 — CID 118010605

IUPAC1,1,2-trifluoro-3,3-dimethoxy-N-methylpropan-1-amine
SMILESCNC(F)(F)C(F)C(OC)OC
InChIInChI=1S/C6H12F3NO2/c1-10-6(8,9)4(7)5(11-2)12-3/h4-5,10H,1-3H3
InChIKeyUMLJGIRZVBEDGN-UHFFFAOYSA-N
MW187.16 g/mol
LogP0.76
Rot. Bonds5

About 1,1,2-trifluoro-3,3-dimethoxy-N-methylpropan-1-amine

1,1,2-trifluoro-3,3-dimethoxy-N-methylpropan-1-amine (PubChem CID 118010605) has the molecular formula C6H12F3NO2 and a molecular weight of 187.16 g/mol. Its IUPAC name is 1,1,2-trifluoro-3,3-dimethoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name1,1,2-trifluoro-3,3-dimethoxy-N-methylpropan-1-amine
PubChem CID118010605
Molecular FormulaC6H12F3NO2
Molecular Weight187.16 g/mol
Exact Mass187.08
IUPAC Name1,1,2-trifluoro-3,3-dimethoxy-N-methylpropan-1-amine
SMILESCNC(F)(F)C(F)C(OC)OC
InChIInChI=1S/C6H12F3NO2/c1-10-6(8,9)4(7)5(11-2)12-3/h4-5,10H,1-3H3
InChIKeyUMLJGIRZVBEDGN-UHFFFAOYSA-N
XLogP0.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Propanamine,N-(2,2-dimethoxyethyl)-3,3,3-trifluoro-
CID 58168570
N-(3,3-diethoxypropyl)-3,3,3-trifluoropropan-1-amine
CID 81094042
3,3-diethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 81095212
N-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine
CID 115406800
3,3-Dimethoxy-N-methylpropan-1-amine
CID 55284576

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-3,3-dimethoxy-N-methylpropan-1-amine?
The IUPAC name of 1,1,2-trifluoro-3,3-dimethoxy-N-methylpropan-1-amine (CID 118010605) is 1,1,2-trifluoro-3,3-dimethoxy-N-methylpropan-1-amine.
What is the SMILES notation for 1,1,2-trifluoro-3,3-dimethoxy-N-methylpropan-1-amine?
The canonical SMILES for 1,1,2-trifluoro-3,3-dimethoxy-N-methylpropan-1-amine is CNC(F)(F)C(F)C(OC)OC.
What is the InChIKey of 1,1,2-trifluoro-3,3-dimethoxy-N-methylpropan-1-amine?
The InChIKey is UMLJGIRZVBEDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2/c1-10-6(8,9)4(7)5(11-2)12-3/h4-5,10H,1-3H3.
What are the key properties of 1,1,2-trifluoro-3,3-dimethoxy-N-methylpropan-1-amine?
1,1,2-trifluoro-3,3-dimethoxy-N-methylpropan-1-amine has a molecular weight of 187.16 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-3,3-dimethoxy-N-methylpropan-1-amine is sourced from PubChem (CID 118010605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).