N-(1-cyano-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide

C8H10F4N2O — CID 103733668

IUPACN-(1-cyano-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide
SMILESCC(C)C(C#N)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H10F4N2O/c1-4(2)5(3-13)14-7(15)8(11,12)6(9)10/h4-6H,1-2H3,(H,14,15)
InChIKeyHKNMSFMDIGCKOO-UHFFFAOYSA-N
MW226.17 g/mol
LogP1.55
Rot. Bonds4

About N-(1-cyano-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide

N-(1-cyano-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103733668) has the molecular formula C8H10F4N2O and a molecular weight of 226.17 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103733668
Molecular FormulaC8H10F4N2O
Molecular Weight226.17 g/mol
Exact Mass226.07
IUPAC NameN-(1-cyano-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide
SMILESCC(C)C(C#N)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C8H10F4N2O/c1-4(2)5(3-13)14-7(15)8(11,12)6(9)10/h4-6H,1-2H3,(H,14,15)
InChIKeyHKNMSFMDIGCKOO-UHFFFAOYSA-N
XLogP1.55
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.17
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide (CID 103733668) is N-(1-cyano-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide is CC(C)C(C#N)NC(=O)C(F)(F)C(F)F.
What is the InChIKey of N-(1-cyano-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is HKNMSFMDIGCKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N2O/c1-4(2)5(3-13)14-7(15)8(11,12)6(9)10/h4-6H,1-2H3,(H,14,15).
What are the key properties of N-(1-cyano-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide?
N-(1-cyano-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 226.17 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103733668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).