N'-(2,2-difluoro-3-oxobutyl)ethanimidamide

C6H10F2N2O — CID 123948626

IUPACN'-(2,2-difluoro-3-oxobutyl)ethanimidamide
SMILESCC(=O)C(F)(F)C/N=C(\C)N
InChIInChI=1S/C6H10F2N2O/c1-4(11)6(7,8)3-10-5(2)9/h3H2,1-2H3,(H2,9,10)
InChIKeySVBCPTXXCDUZLD-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.59
Rot. Bonds3

About N'-(2,2-difluoro-3-oxobutyl)ethanimidamide

N'-(2,2-difluoro-3-oxobutyl)ethanimidamide (PubChem CID 123948626) has the molecular formula C6H10F2N2O and a molecular weight of 164.16 g/mol. Its IUPAC name is N'-(2,2-difluoro-3-oxobutyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2,2-difluoro-3-oxobutyl)ethanimidamide
PubChem CID123948626
Molecular FormulaC6H10F2N2O
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC NameN'-(2,2-difluoro-3-oxobutyl)ethanimidamide
SMILESCC(=O)C(F)(F)C/N=C(\C)N
InChIInChI=1S/C6H10F2N2O/c1-4(11)6(7,8)3-10-5(2)9/h3H2,1-2H3,(H2,9,10)
InChIKeySVBCPTXXCDUZLD-UHFFFAOYSA-N
XLogP0.59
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

guanidine;1,1,1-trifluoropropan-2-one
CID 161240070
8-(1-aminoethylideneamino)-2,2-difluoro-3-hydroxy-3-methyloctanoic acid
CID 57196663
(2R)-2-[[2-(1-aminoethylideneamino)-1,1-difluoroethyl]amino]-3-sulfanylpropanoic acid
CID 57177921
N'-(2-oxopropyl)ethanimidamide
CID 59630572
N'-(3-hydroxy-3-methylbutyl)ethanimidamide
CID 130723765
N'-(3-hydroxy-3-methylbutyl)ethanimidamide;hydroiodide
CID 130723764
3,3-difluorohexan-2-one;ethane
CID 144710349
N'-(2-ethoxy-2-methylpropyl)ethanimidamide
CID 114944274
N'-(2-cyano-2-methylpropyl)ethanimidamide;hydroiodide
CID 130693138
2-amino-5-(1-aminoethylideneamino)-3-(trifluoromethyl)pentanoic acid
CID 10130993
N'-[[1-(trifluoromethyl)cyclopropyl]methyl]ethanimidamide
CID 130626225
(E)-2-amino-7-(1-aminoethylideneamino)-2-methylhept-5-enoate
CID 22314568

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoro-3-oxobutyl)ethanimidamide?
The IUPAC name of N'-(2,2-difluoro-3-oxobutyl)ethanimidamide (CID 123948626) is N'-(2,2-difluoro-3-oxobutyl)ethanimidamide.
What is the SMILES notation for N'-(2,2-difluoro-3-oxobutyl)ethanimidamide?
The canonical SMILES for N'-(2,2-difluoro-3-oxobutyl)ethanimidamide is CC(=O)C(F)(F)C/N=C(\C)N.
What is the InChIKey of N'-(2,2-difluoro-3-oxobutyl)ethanimidamide?
The InChIKey is SVBCPTXXCDUZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O/c1-4(11)6(7,8)3-10-5(2)9/h3H2,1-2H3,(H2,9,10).
What are the key properties of N'-(2,2-difluoro-3-oxobutyl)ethanimidamide?
N'-(2,2-difluoro-3-oxobutyl)ethanimidamide has a molecular weight of 164.16 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoro-3-oxobutyl)ethanimidamide is sourced from PubChem (CID 123948626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).