N-(2-cyanopropan-2-yl)-2,2,3,3-tetrafluoropropanamide

C7H8F4N2O — CID 103733657

IUPACN-(2-cyanopropan-2-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCC(C)(C#N)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H8F4N2O/c1-6(2,3-12)13-5(14)7(10,11)4(8)9/h4H,1-2H3,(H,13,14)
InChIKeyYFQIGCNNAIIASA-UHFFFAOYSA-N
MW212.15 g/mol
LogP1.31
Rot. Bonds3

About N-(2-cyanopropan-2-yl)-2,2,3,3-tetrafluoropropanamide

N-(2-cyanopropan-2-yl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103733657) has the molecular formula C7H8F4N2O and a molecular weight of 212.15 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103733657
Molecular FormulaC7H8F4N2O
Molecular Weight212.15 g/mol
Exact Mass212.06
IUPAC NameN-(2-cyanopropan-2-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCC(C)(C#N)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C7H8F4N2O/c1-6(2,3-12)13-5(14)7(10,11)4(8)9/h4H,1-2H3,(H,13,14)
InChIKeyYFQIGCNNAIIASA-UHFFFAOYSA-N
XLogP1.31
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.15
LogP ≤ 51.31
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-(2-cyanopropan-2-yl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2,2,3,3-tetrafluoropropanamide (CID 103733657) is N-(2-cyanopropan-2-yl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2,2,3,3-tetrafluoropropanamide is CC(C)(C#N)NC(=O)C(F)(F)C(F)F.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is YFQIGCNNAIIASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4N2O/c1-6(2,3-12)13-5(14)7(10,11)4(8)9/h4H,1-2H3,(H,13,14).
What are the key properties of N-(2-cyanopropan-2-yl)-2,2,3,3-tetrafluoropropanamide?
N-(2-cyanopropan-2-yl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 212.15 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103733657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).