N-(difluoromethyl)-N-(2-hydroxyethyl)formamide

C4H7F2NO2 — CID 87322028

IUPACN-(difluoromethyl)-N-(2-hydroxyethyl)formamide
SMILESO=CN(CCO)C(F)F
InChIInChI=1S/C4H7F2NO2/c5-4(6)7(3-9)1-2-8/h3-4,8H,1-2H2
InChIKeyIHBNOXRLZYBKLV-UHFFFAOYSA-N
MW139.10 g/mol
LogP-0.34
Rot. Bonds4

About N-(difluoromethyl)-N-(2-hydroxyethyl)formamide

N-(difluoromethyl)-N-(2-hydroxyethyl)formamide (PubChem CID 87322028) has the molecular formula C4H7F2NO2 and a molecular weight of 139.10 g/mol. Its IUPAC name is N-(difluoromethyl)-N-(2-hydroxyethyl)formamide.

Molecular Properties

Compound NameN-(difluoromethyl)-N-(2-hydroxyethyl)formamide
PubChem CID87322028
Molecular FormulaC4H7F2NO2
Molecular Weight139.10 g/mol
Exact Mass139.04
IUPAC NameN-(difluoromethyl)-N-(2-hydroxyethyl)formamide
SMILESO=CN(CCO)C(F)F
InChIInChI=1S/C4H7F2NO2/c5-4(6)7(3-9)1-2-8/h3-4,8H,1-2H2
InChIKeyIHBNOXRLZYBKLV-UHFFFAOYSA-N
XLogP-0.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.10
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N,N-bis(2-hydroxyethyl)acetamide
CID 1925938
N-(2-hydroxyethyl)-N-(trifluoromethyl)formamide
CID 87322422
N-(difluoromethyl)-N-(1-hydroxyethyl)formamide
CID 173056141
N-(1-hydroxyethyl)-N-(trifluoromethyl)formamide
CID 173056201
2-Hydroxyethyl(2,2,2-trifluoroethyl)carbamic acid
CID 174219308
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 64591864
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)formamide
CID 64992314
2,2-difluoro-N,N-bis(2-hydroxyethyl)acetamide
CID 103513893
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)formamide
CID 107483051
N-(2,2-difluoropropyl)-N-(2-hydroxyethyl)formamide
CID 143045920
N-formyl-N-(2-hydroxyethyl)formamide
CID 56982924
N-(2-hydroxyethyl)-N-(hydroxymethyl)formamide
CID 88403119

Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-N-(2-hydroxyethyl)formamide?
The IUPAC name of N-(difluoromethyl)-N-(2-hydroxyethyl)formamide (CID 87322028) is N-(difluoromethyl)-N-(2-hydroxyethyl)formamide.
What is the SMILES notation for N-(difluoromethyl)-N-(2-hydroxyethyl)formamide?
The canonical SMILES for N-(difluoromethyl)-N-(2-hydroxyethyl)formamide is O=CN(CCO)C(F)F.
What is the InChIKey of N-(difluoromethyl)-N-(2-hydroxyethyl)formamide?
The InChIKey is IHBNOXRLZYBKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2/c5-4(6)7(3-9)1-2-8/h3-4,8H,1-2H2.
What are the key properties of N-(difluoromethyl)-N-(2-hydroxyethyl)formamide?
N-(difluoromethyl)-N-(2-hydroxyethyl)formamide has a molecular weight of 139.10 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-(2-hydroxyethyl)formamide is sourced from PubChem (CID 87322028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).