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

C6H12F3NO2 — CID 162548306

IUPAC3,3,3-trifluoro-1,2-dimethoxy-2-methylpropan-1-amine
SMILESCOC(N)C(C)(OC)C(F)(F)F
InChIInChI=1S/C6H12F3NO2/c1-5(12-3,4(10)11-2)6(7,8)9/h4H,10H2,1-3H3
InChIKeyCYPVOLSTRHVOPN-UHFFFAOYSA-N
MW187.16 g/mol
LogP0.88
Rot. Bonds3

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

3,3,3-trifluoro-1,2-dimethoxy-2-methylpropan-1-amine (PubChem CID 162548306) has the molecular formula C6H12F3NO2 and a molecular weight of 187.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-1,2-dimethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1,2-dimethoxy-2-methylpropan-1-amine
PubChem CID162548306
Molecular FormulaC6H12F3NO2
Molecular Weight187.16 g/mol
Exact Mass187.08
IUPAC Name3,3,3-trifluoro-1,2-dimethoxy-2-methylpropan-1-amine
SMILESCOC(N)C(C)(OC)C(F)(F)F
InChIInChI=1S/C6H12F3NO2/c1-5(12-3,4(10)11-2)6(7,8)9/h4H,10H2,1-3H3
InChIKeyCYPVOLSTRHVOPN-UHFFFAOYSA-N
XLogP0.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1,2-dimethoxy-2-methylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1,2-dimethoxy-2-methylpropan-1-amine (CID 162548306) is 3,3,3-trifluoro-1,2-dimethoxy-2-methylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1,2-dimethoxy-2-methylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1,2-dimethoxy-2-methylpropan-1-amine is COC(N)C(C)(OC)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1,2-dimethoxy-2-methylpropan-1-amine?
The InChIKey is CYPVOLSTRHVOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2/c1-5(12-3,4(10)11-2)6(7,8)9/h4H,10H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-1,2-dimethoxy-2-methylpropan-1-amine?
3,3,3-trifluoro-1,2-dimethoxy-2-methylpropan-1-amine has a molecular weight of 187.16 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1,2-dimethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 162548306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).