N-ethyl-2,2-difluoroacetamide

C4H7F2NO — CID 45158835

IUPACN-ethyl-2,2-difluoroacetamide
SMILESCCNC(=O)C(F)F
InChIInChI=1S/C4H7F2NO/c1-2-7-4(8)3(5)6/h3H,2H2,1H3,(H,7,8)
InChIKeyNPCMGJIFTRTKIZ-UHFFFAOYSA-N
MW123.10 g/mol
LogP0.39
Rot. Bonds2

About N-ethyl-2,2-difluoroacetamide

N-ethyl-2,2-difluoroacetamide (PubChem CID 45158835) has the molecular formula C4H7F2NO and a molecular weight of 123.10 g/mol. Its IUPAC name is N-ethyl-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-ethyl-2,2-difluoroacetamide
PubChem CID45158835
Molecular FormulaC4H7F2NO
Molecular Weight123.10 g/mol
Exact Mass123.05
IUPAC NameN-ethyl-2,2-difluoroacetamide
SMILESCCNC(=O)C(F)F
InChIInChI=1S/C4H7F2NO/c1-2-7-4(8)3(5)6/h3H,2H2,1H3,(H,7,8)
InChIKeyNPCMGJIFTRTKIZ-UHFFFAOYSA-N
XLogP0.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.10
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Ethylacetamide
CID 12253
N-(2-Iodoethyl)trifluoroacetamide
CID 587696
2,2,2-Trifluoro-N-isopropylacetamide
CID 2305253
N-Butyltrifluoroacetamide
CID 283366
2,2,2-Trifluoro-n-propylacetamide
CID 580996
N-Ethyl-2,2,2-trifluoroacetamide
CID 581108
Acetamide, 2,2,2-trifluoro-N-(2-methylpropyl)-
CID 581281
N-(2-aminoethyl)-2,2,2-trifluoroacetamide
CID 229755
2-Amino-N-(2,2,2-trifluoroethyl)acetamide
CID 24705143
2-iodo-N-(2,2,2-trifluoroethyl)acetamide
CID 64788153
2,2,2-Trifluoro-N-(2,2,2-trifluoroethyl)acetamide
CID 3013876
N-(1-chloro-2,2,2-trifluoroethyl)acetamide
CID 11095145

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoroacetamide?
The IUPAC name of N-ethyl-2,2-difluoroacetamide (CID 45158835) is N-ethyl-2,2-difluoroacetamide.
What is the SMILES notation for N-ethyl-2,2-difluoroacetamide?
The canonical SMILES for N-ethyl-2,2-difluoroacetamide is CCNC(=O)C(F)F.
What is the InChIKey of N-ethyl-2,2-difluoroacetamide?
The InChIKey is NPCMGJIFTRTKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO/c1-2-7-4(8)3(5)6/h3H,2H2,1H3,(H,7,8).
What are the key properties of N-ethyl-2,2-difluoroacetamide?
N-ethyl-2,2-difluoroacetamide has a molecular weight of 123.10 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoroacetamide is sourced from PubChem (CID 45158835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).