N-(2-cyano-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide

C10H5F5N2O — CID 103739884

IUPACN-(2-cyano-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
SMILESN#Cc1cc(F)ccc1NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C10H5F5N2O/c11-6-1-2-7(5(3-6)4-16)17-9(18)10(14,15)8(12)13/h1-3,8H,(H,17,18)
InChIKeyCINOTMLSIRJHNN-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.54
Rot. Bonds3

About N-(2-cyano-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide

N-(2-cyano-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103739884) has the molecular formula C10H5F5N2O and a molecular weight of 264.15 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103739884
Molecular FormulaC10H5F5N2O
Molecular Weight264.15 g/mol
Exact Mass264.03
IUPAC NameN-(2-cyano-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
SMILESN#Cc1cc(F)ccc1NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C10H5F5N2O/c11-6-1-2-7(5(3-6)4-16)17-9(18)10(14,15)8(12)13/h1-3,8H,(H,17,18)
InChIKeyCINOTMLSIRJHNN-UHFFFAOYSA-N
XLogP2.54
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyano-4-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309883
N-(2-cyano-4-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 82016198
1-(2-cyano-4-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115577068
1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 115279853
2-cyano-N-(2-cyano-4-fluorophenyl)butanamide
CID 82015517
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
N-(2-cyano-4-fluorophenyl)-3,3-dimethylbutanamide
CID 79953681
1-(2-cyano-4-fluorophenyl)-3-(3,3,3-trifluoropropyl)urea
CID 78894621
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
1-(2-cyano-4-fluorophenyl)-3-(3-methylbutan-2-yl)urea
CID 78839868
2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide
CID 103731851
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide (CID 103739884) is N-(2-cyano-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide is N#Cc1cc(F)ccc1NC(=O)C(F)(F)C(F)F.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is CINOTMLSIRJHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5N2O/c11-6-1-2-7(5(3-6)4-16)17-9(18)10(14,15)8(12)13/h1-3,8H,(H,17,18).
What are the key properties of N-(2-cyano-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide?
N-(2-cyano-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 264.15 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103739884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).