2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2H-tetrazol-5-yl)octanamide

C9H2F15N5O — CID 15164340

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2H-tetrazol-5-yl)octanamide
SMILESO=C(Nc1nn[nH]n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H2F15N5O/c10-3(11,1(30)25-2-26-28-29-27-2)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h(H2,25,26,27,28,29,30)
InChIKeyVRGPKDLPIUMGTL-UHFFFAOYSA-N
MW481.12 g/mol
LogP3.51
Rot. Bonds7

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2H-tetrazol-5-yl)octanamide

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2H-tetrazol-5-yl)octanamide (PubChem CID 15164340) has the molecular formula C9H2F15N5O and a molecular weight of 481.12 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2H-tetrazol-5-yl)octanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2H-tetrazol-5-yl)octanamide
PubChem CID15164340
Molecular FormulaC9H2F15N5O
Molecular Weight481.12 g/mol
Exact Mass481.00
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2H-tetrazol-5-yl)octanamide
SMILESO=C(Nc1nn[nH]n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H2F15N5O/c10-3(11,1(30)25-2-26-28-29-27-2)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h(H2,25,26,27,28,29,30)
InChIKeyVRGPKDLPIUMGTL-UHFFFAOYSA-N
XLogP3.51
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.12
LogP ≤ 53.51
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

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
2-bromo-2-methyl-N-(2H-tetrazol-5-yl)propanamide
CID 82108807
2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide
CID 130734610
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[4-(2H-tetrazol-5-yl)but-2-enyl]octanamide
CID 173369483
N-(2H-tetrazol-5-yl)azetidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 146314378
2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide
CID 3290678
3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide
CID 1225874
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-phenylnonanamide
CID 3421010
2,2,3,3,4,4,5,5,5-nonafluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 4207224
2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide
CID 4077005
1,1-dimethyl-3-(2H-tetrazol-5-yl)urea
CID 551595
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-hydroxyphenyl)heptanamide
CID 4292897

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2H-tetrazol-5-yl)octanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2H-tetrazol-5-yl)octanamide (CID 15164340) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2H-tetrazol-5-yl)octanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2H-tetrazol-5-yl)octanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2H-tetrazol-5-yl)octanamide is O=C(Nc1nn[nH]n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2H-tetrazol-5-yl)octanamide?
The InChIKey is VRGPKDLPIUMGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F15N5O/c10-3(11,1(30)25-2-26-28-29-27-2)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h(H2,25,26,27,28,29,30).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2H-tetrazol-5-yl)octanamide?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2H-tetrazol-5-yl)octanamide has a molecular weight of 481.12 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2H-tetrazol-5-yl)octanamide is sourced from PubChem (CID 15164340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).