N-(difluoromethyl)-N-(1-hydroxyethyl)formamide

C4H7F2NO2 — CID 173056141

IUPACN-(difluoromethyl)-N-(1-hydroxyethyl)formamide
SMILESCC(O)N(C=O)C(F)F
InChIInChI=1S/C4H7F2NO2/c1-3(9)7(2-8)4(5)6/h2-4,9H,1H3
InChIKeyKZZWDOBDCCQGSH-UHFFFAOYSA-N
MW139.10 g/mol
LogP0.01
Rot. Bonds3

About N-(difluoromethyl)-N-(1-hydroxyethyl)formamide

N-(difluoromethyl)-N-(1-hydroxyethyl)formamide (PubChem CID 173056141) has the molecular formula C4H7F2NO2 and a molecular weight of 139.10 g/mol. Its IUPAC name is N-(difluoromethyl)-N-(1-hydroxyethyl)formamide.

Molecular Properties

Compound NameN-(difluoromethyl)-N-(1-hydroxyethyl)formamide
PubChem CID173056141
Molecular FormulaC4H7F2NO2
Molecular Weight139.10 g/mol
Exact Mass139.04
IUPAC NameN-(difluoromethyl)-N-(1-hydroxyethyl)formamide
SMILESCC(O)N(C=O)C(F)F
InChIInChI=1S/C4H7F2NO2/c1-3(9)7(2-8)4(5)6/h2-4,9H,1H3
InChIKeyKZZWDOBDCCQGSH-UHFFFAOYSA-N
XLogP0.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.10
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-(1-hydroxyethyl)formamide?
The IUPAC name of N-(difluoromethyl)-N-(1-hydroxyethyl)formamide (CID 173056141) is N-(difluoromethyl)-N-(1-hydroxyethyl)formamide.
What is the SMILES notation for N-(difluoromethyl)-N-(1-hydroxyethyl)formamide?
The canonical SMILES for N-(difluoromethyl)-N-(1-hydroxyethyl)formamide is CC(O)N(C=O)C(F)F.
What is the InChIKey of N-(difluoromethyl)-N-(1-hydroxyethyl)formamide?
The InChIKey is KZZWDOBDCCQGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2/c1-3(9)7(2-8)4(5)6/h2-4,9H,1H3.
What are the key properties of N-(difluoromethyl)-N-(1-hydroxyethyl)formamide?
N-(difluoromethyl)-N-(1-hydroxyethyl)formamide has a molecular weight of 139.10 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-(1-hydroxyethyl)formamide is sourced from PubChem (CID 173056141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).