N-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

C13H7F9N2O — CID 14253808

IUPACN-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESN#CCc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C13H7F9N2O/c14-10(15,11(16,17)12(18,19)13(20,21)22)9(25)24-8-3-1-7(2-4-8)5-6-23/h1-4H,5H2,(H,24,25)
InChIKeyVYOPTNWQTVZZOL-UHFFFAOYSA-N
MW378.19 g/mol
LogP4.16
Rot. Bonds5

About N-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

N-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (PubChem CID 14253808) has the molecular formula C13H7F9N2O and a molecular weight of 378.19 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
PubChem CID14253808
Molecular FormulaC13H7F9N2O
Molecular Weight378.19 g/mol
Exact Mass378.04
IUPAC NameN-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESN#CCc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C13H7F9N2O/c14-10(15,11(16,17)12(18,19)13(20,21)22)9(25)24-8-3-1-7(2-4-8)5-6-23/h1-4H,5H2,(H,24,25)
InChIKeyVYOPTNWQTVZZOL-UHFFFAOYSA-N
XLogP4.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 54.16
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-(4-cyanophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 3376836
N-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 3604613
N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide
CID 60731315
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-phenylnonanamide
CID 3421010
N-(4-acetylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748500
2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide
CID 55057277
9-chloro-N-[4-[[4-[(9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)amino]phenyl]methyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 4104811
N-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62832358
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-pyridin-4-yloctanamide
CID 15164357
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(4-methoxyphenyl)nonanamide
CID 5048807
2-cyano-N-[4-(cyanomethyl)phenyl]-2-propylpentanamide
CID 62303424
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]octanamide
CID 14253811

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (CID 14253808) is N-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is N#CCc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The InChIKey is VYOPTNWQTVZZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F9N2O/c14-10(15,11(16,17)12(18,19)13(20,21)22)9(25)24-8-3-1-7(2-4-8)5-6-23/h1-4H,5H2,(H,24,25).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
N-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide has a molecular weight of 378.19 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is sourced from PubChem (CID 14253808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).