N,N-bis(cyanomethyl)-2,2,3,3-tetrafluoropropanamide

C7H5F4N3O — CID 103733396

IUPACN,N-bis(cyanomethyl)-2,2,3,3-tetrafluoropropanamide
SMILESN#CCN(CC#N)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H5F4N3O/c8-5(9)7(10,11)6(15)14(3-1-12)4-2-13/h5H,3-4H2
InChIKeySHWIYWYOGYSRAL-UHFFFAOYSA-N
MW223.13 g/mol
LogP0.76
Rot. Bonds4

About N,N-bis(cyanomethyl)-2,2,3,3-tetrafluoropropanamide

N,N-bis(cyanomethyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103733396) has the molecular formula C7H5F4N3O and a molecular weight of 223.13 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103733396
Molecular FormulaC7H5F4N3O
Molecular Weight223.13 g/mol
Exact Mass223.04
IUPAC NameN,N-bis(cyanomethyl)-2,2,3,3-tetrafluoropropanamide
SMILESN#CCN(CC#N)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H5F4N3O/c8-5(9)7(10,11)6(15)14(3-1-12)4-2-13/h5H,3-4H2
InChIKeySHWIYWYOGYSRAL-UHFFFAOYSA-N
XLogP0.76
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.13
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-[bis(cyanomethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82813360
N,N-bis(cyanomethyl)-2-(ethylamino)-2-methylpropanamide
CID 62831725
2,2,2-trifluoroethyl N,N-bis(cyanomethyl)carbamate
CID 65173383
N-(3-bromo-2-oxopropyl)-2,2,3,3-tetrafluoro-N-(2,2,2-trifluoroethyl)propanamide
CID 114033006
2,2,3,3-tetrafluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
CID 103733151
2,2,3,3-tetrafluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 103915709
2,2,3,3-tetrafluoro-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 103755692
N-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
CID 103732251
methyl 3-[2-methylpropyl(2,2,3,3-tetrafluoropropanoyl)amino]propanoate
CID 103733048
1,1-bis(cyanomethyl)-3,3-dimethylurea
CID 116653848
N-(cyanomethyl)-N-ethylacetamide
CID 14023628
3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide
CID 158689027

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N,N-bis(cyanomethyl)-2,2,3,3-tetrafluoropropanamide (CID 103733396) is N,N-bis(cyanomethyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N,N-bis(cyanomethyl)-2,2,3,3-tetrafluoropropanamide is N#CCN(CC#N)C(=O)C(F)(F)C(F)F.
What is the InChIKey of N,N-bis(cyanomethyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is SHWIYWYOGYSRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4N3O/c8-5(9)7(10,11)6(15)14(3-1-12)4-2-13/h5H,3-4H2.
What are the key properties of N,N-bis(cyanomethyl)-2,2,3,3-tetrafluoropropanamide?
N,N-bis(cyanomethyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 223.13 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103733396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).