2,2,3,3,4,4,4-heptafluoro-N-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]butanamide

C13H10F7N5O — CID 14253827

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]butanamide
SMILESO=C(Nc1ccc(CCc2nn[nH]n2)cc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H10F7N5O/c14-11(15,12(16,17)13(18,19)20)10(26)21-8-4-1-7(2-5-8)3-6-9-22-24-25-23-9/h1-2,4-5H,3,6H2,(H,21,26)(H,22,23,24,25)
InChIKeyXRZRSWUCBBFZMB-UHFFFAOYSA-N
MW385.24 g/mol
LogP2.76
Rot. Bonds6

About 2,2,3,3,4,4,4-heptafluoro-N-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]butanamide

2,2,3,3,4,4,4-heptafluoro-N-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]butanamide (PubChem CID 14253827) has the molecular formula C13H10F7N5O and a molecular weight of 385.24 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]butanamide
PubChem CID14253827
Molecular FormulaC13H10F7N5O
Molecular Weight385.24 g/mol
Exact Mass385.08
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]butanamide
SMILESO=C(Nc1ccc(CCc2nn[nH]n2)cc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H10F7N5O/c14-11(15,12(16,17)13(18,19)20)10(26)21-8-4-1-7(2-5-8)3-6-9-22-24-25-23-9/h1-2,4-5H,3,6H2,(H,21,26)(H,22,23,24,25)
InChIKeyXRZRSWUCBBFZMB-UHFFFAOYSA-N
XLogP2.76
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-(2H-Tetrazol-5-yl)phenyl)acetamide
CID 3055901
N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 890652
N1-(2,4-difluorophenyl)-2-(2H-1,2,3,4-tetraazol-5-yl)acetamide
CID 2799349
N-[2-(2H-Tetrazol-5-yl)phenyl]acetamide
CID 4440906
2-(1H-tetrazol-5-yl)acetanilide
CID 12590729
2-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 137628322
2,2,3,3,4,4,4-Heptafluoro-N-[4-(1H-tetrazol-5-ylmethyl)phenyl]butanamide
CID 14253809
N-[4-[(2H-Tetrazol-5-yl)methyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 14253811
N-[3-[(2H-Tetrazol-5-yl)methyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 14253813
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-N-[4-[(2H-tetrazol-5-yl)methyl]phenyl]nonanamide
CID 14253814
2,2,3,3,4,4,4-Heptafluoro-N-[2-(1H-tetrazol-5-ylmethyl)phenyl]butanamide
CID 14253815
N-[3-[(2H-Tetrazol-5-yl)methyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 14253817

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]butanamide (CID 14253827) is 2,2,3,3,4,4,4-heptafluoro-N-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]butanamide is O=C(Nc1ccc(CCc2nn[nH]n2)cc1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]butanamide?
The InChIKey is XRZRSWUCBBFZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F7N5O/c14-11(15,12(16,17)13(18,19)20)10(26)21-8-4-1-7(2-5-8)3-6-9-22-24-25-23-9/h1-2,4-5H,3,6H2,(H,21,26)(H,22,23,24,25).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]butanamide has a molecular weight of 385.24 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]butanamide is sourced from PubChem (CID 14253827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).