N-methoxy-N-methylformamide;2,2,2-trifluoroethyl formate

C6H10F3NO4 — CID 91532427

IUPACN-methoxy-N-methylformamide;2,2,2-trifluoroethyl formate
SMILESCON(C)C=O.O=COCC(F)(F)F
InChIInChI=1S/C3H3F3O2.C3H7NO2/c4-3(5,6)1-8-2-7;1-4(3-5)6-2/h2H,1H2;3H,1-2H3
InChIKeyKCTIUWYEKJUBAT-UHFFFAOYSA-N
MW217.14 g/mol
LogP0.36
Rot. Bonds4

About N-methoxy-N-methylformamide;2,2,2-trifluoroethyl formate

N-methoxy-N-methylformamide;2,2,2-trifluoroethyl formate (PubChem CID 91532427) has the molecular formula C6H10F3NO4 and a molecular weight of 217.14 g/mol. Its IUPAC name is N-methoxy-N-methylformamide;2,2,2-trifluoroethyl formate.

Molecular Properties

Compound NameN-methoxy-N-methylformamide;2,2,2-trifluoroethyl formate
PubChem CID91532427
Molecular FormulaC6H10F3NO4
Molecular Weight217.14 g/mol
Exact Mass217.06
IUPAC NameN-methoxy-N-methylformamide;2,2,2-trifluoroethyl formate
SMILESCON(C)C=O.O=COCC(F)(F)F
InChIInChI=1S/C3H3F3O2.C3H7NO2/c4-3(5,6)1-8-2-7;1-4(3-5)6-2/h2H,1H2;3H,1-2H3
InChIKeyKCTIUWYEKJUBAT-UHFFFAOYSA-N
XLogP0.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methylformamide;2,2,2-trifluoroethyl formate?
The IUPAC name of N-methoxy-N-methylformamide;2,2,2-trifluoroethyl formate (CID 91532427) is N-methoxy-N-methylformamide;2,2,2-trifluoroethyl formate.
What is the SMILES notation for N-methoxy-N-methylformamide;2,2,2-trifluoroethyl formate?
The canonical SMILES for N-methoxy-N-methylformamide;2,2,2-trifluoroethyl formate is CON(C)C=O.O=COCC(F)(F)F.
What is the InChIKey of N-methoxy-N-methylformamide;2,2,2-trifluoroethyl formate?
The InChIKey is KCTIUWYEKJUBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O2.C3H7NO2/c4-3(5,6)1-8-2-7;1-4(3-5)6-2/h2H,1H2;3H,1-2H3.
What are the key properties of N-methoxy-N-methylformamide;2,2,2-trifluoroethyl formate?
N-methoxy-N-methylformamide;2,2,2-trifluoroethyl formate has a molecular weight of 217.14 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methylformamide;2,2,2-trifluoroethyl formate is sourced from PubChem (CID 91532427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).