N-(difluoromethyl)-N-ethylformamide

C4H7F2NO — CID 87181998

IUPACN-(difluoromethyl)-N-ethylformamide
SMILESCCN(C=O)C(F)F
InChIInChI=1S/C4H7F2NO/c1-2-7(3-8)4(5)6/h3-4H,2H2,1H3
InChIKeyOXJRFMUMXVHPQA-UHFFFAOYSA-N
MW123.10 g/mol
LogP0.69
Rot. Bonds3

About N-(difluoromethyl)-N-ethylformamide

N-(difluoromethyl)-N-ethylformamide (PubChem CID 87181998) has the molecular formula C4H7F2NO and a molecular weight of 123.10 g/mol. Its IUPAC name is N-(difluoromethyl)-N-ethylformamide.

Molecular Properties

Compound NameN-(difluoromethyl)-N-ethylformamide
PubChem CID87181998
Molecular FormulaC4H7F2NO
Molecular Weight123.10 g/mol
Exact Mass123.05
IUPAC NameN-(difluoromethyl)-N-ethylformamide
SMILESCCN(C=O)C(F)F
InChIInChI=1S/C4H7F2NO/c1-2-7(3-8)4(5)6/h3-4H,2H2,1H3
InChIKeyOXJRFMUMXVHPQA-UHFFFAOYSA-N
XLogP0.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.10
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-N-ethylformamide?
The IUPAC name of N-(difluoromethyl)-N-ethylformamide (CID 87181998) is N-(difluoromethyl)-N-ethylformamide.
What is the SMILES notation for N-(difluoromethyl)-N-ethylformamide?
The canonical SMILES for N-(difluoromethyl)-N-ethylformamide is CCN(C=O)C(F)F.
What is the InChIKey of N-(difluoromethyl)-N-ethylformamide?
The InChIKey is OXJRFMUMXVHPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO/c1-2-7(3-8)4(5)6/h3-4H,2H2,1H3.
What are the key properties of N-(difluoromethyl)-N-ethylformamide?
N-(difluoromethyl)-N-ethylformamide has a molecular weight of 123.10 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-ethylformamide is sourced from PubChem (CID 87181998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).