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

C12H8F7N5O — CID 14253817

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]butanamide
SMILESO=C(Nc1cccc(Cc2nn[nH]n2)c1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H8F7N5O/c13-10(14,11(15,16)12(17,18)19)9(25)20-7-3-1-2-6(4-7)5-8-21-23-24-22-8/h1-4H,5H2,(H,20,25)(H,21,22,23,24)
InChIKeyCCFOELYVLPIBAN-UHFFFAOYSA-N
MW371.22 g/mol
LogP2.56
Rot. Bonds5

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

2,2,3,3,4,4,4-heptafluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]butanamide (PubChem CID 14253817) has the molecular formula C12H8F7N5O and a molecular weight of 371.22 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]butanamide
PubChem CID14253817
Molecular FormulaC12H8F7N5O
Molecular Weight371.22 g/mol
Exact Mass371.06
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]butanamide
SMILESO=C(Nc1cccc(Cc2nn[nH]n2)c1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H8F7N5O/c13-10(14,11(15,16)12(17,18)19)9(25)20-7-3-1-2-6(4-7)5-8-21-23-24-22-8/h1-4H,5H2,(H,20,25)(H,21,22,23,24)
InChIKeyCCFOELYVLPIBAN-UHFFFAOYSA-N
XLogP2.56
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 52.56
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
3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
CID 6470990
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
N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 6465386
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

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]butanamide (CID 14253817) is 2,2,3,3,4,4,4-heptafluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]butanamide is O=C(Nc1cccc(Cc2nn[nH]n2)c1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]butanamide?
The InChIKey is CCFOELYVLPIBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F7N5O/c13-10(14,11(15,16)12(17,18)19)9(25)20-7-3-1-2-6(4-7)5-8-21-23-24-22-8/h1-4H,5H2,(H,20,25)(H,21,22,23,24).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]butanamide has a molecular weight of 371.22 g/mol, XLogP of 2.56, 5 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-[3-(2H-tetrazol-5-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 14253817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).