N,N-dimethylformamide;2,2,2-trifluoroethanol

C5H10F3NO2 — CID 22417525

IUPACN,N-dimethylformamide;2,2,2-trifluoroethanol
SMILESCN(C)C=O.OCC(F)(F)F
InChIInChI=1S/C3H7NO.C2H3F3O/c1-4(2)3-5;3-2(4,5)1-6/h3H,1-2H3;6H,1H2
InChIKeyCAGWIXOLBPQOHS-UHFFFAOYSA-N
MW173.13 g/mol
LogP0.25
Rot. Bonds1

About N,N-dimethylformamide;2,2,2-trifluoroethanol

N,N-dimethylformamide;2,2,2-trifluoroethanol (PubChem CID 22417525) has the molecular formula C5H10F3NO2 and a molecular weight of 173.13 g/mol. Its IUPAC name is N,N-dimethylformamide;2,2,2-trifluoroethanol.

Molecular Properties

Compound NameN,N-dimethylformamide;2,2,2-trifluoroethanol
PubChem CID22417525
Molecular FormulaC5H10F3NO2
Molecular Weight173.13 g/mol
Exact Mass173.07
IUPAC NameN,N-dimethylformamide;2,2,2-trifluoroethanol
SMILESCN(C)C=O.OCC(F)(F)F
InChIInChI=1S/C3H7NO.C2H3F3O/c1-4(2)3-5;3-2(4,5)1-6/h3H,1-2H3;6H,1H2
InChIKeyCAGWIXOLBPQOHS-UHFFFAOYSA-N
XLogP0.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;2,2,2-trifluoroethanol?
The IUPAC name of N,N-dimethylformamide;2,2,2-trifluoroethanol (CID 22417525) is N,N-dimethylformamide;2,2,2-trifluoroethanol.
What is the SMILES notation for N,N-dimethylformamide;2,2,2-trifluoroethanol?
The canonical SMILES for N,N-dimethylformamide;2,2,2-trifluoroethanol is CN(C)C=O.OCC(F)(F)F.
What is the InChIKey of N,N-dimethylformamide;2,2,2-trifluoroethanol?
The InChIKey is CAGWIXOLBPQOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C2H3F3O/c1-4(2)3-5;3-2(4,5)1-6/h3H,1-2H3;6H,1H2.
What are the key properties of N,N-dimethylformamide;2,2,2-trifluoroethanol?
N,N-dimethylformamide;2,2,2-trifluoroethanol has a molecular weight of 173.13 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;2,2,2-trifluoroethanol is sourced from PubChem (CID 22417525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).