2,2,3,3,4,4,4-heptafluoro-N-[10-(2H-tetrazol-5-yl)decyl]butanamide

C15H22F7N5O — CID 15009177

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[10-(2H-tetrazol-5-yl)decyl]butanamide
SMILESO=C(NCCCCCCCCCCc1nn[nH]n1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H22F7N5O/c16-13(17,14(18,19)15(20,21)22)12(28)23-10-8-6-4-2-1-3-5-7-9-11-24-26-27-25-11/h1-10H2,(H,23,28)(H,24,25,26,27)
InChIKeyCUUJTTXHZJRFHZ-UHFFFAOYSA-N
MW421.36 g/mol
LogP3.81
Rot. Bonds13

About 2,2,3,3,4,4,4-heptafluoro-N-[10-(2H-tetrazol-5-yl)decyl]butanamide

2,2,3,3,4,4,4-heptafluoro-N-[10-(2H-tetrazol-5-yl)decyl]butanamide (PubChem CID 15009177) has the molecular formula C15H22F7N5O and a molecular weight of 421.36 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[10-(2H-tetrazol-5-yl)decyl]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[10-(2H-tetrazol-5-yl)decyl]butanamide
PubChem CID15009177
Molecular FormulaC15H22F7N5O
Molecular Weight421.36 g/mol
Exact Mass421.17
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[10-(2H-tetrazol-5-yl)decyl]butanamide
SMILESO=C(NCCCCCCCCCCc1nn[nH]n1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H22F7N5O/c16-13(17,14(18,19)15(20,21)22)12(28)23-10-8-6-4-2-1-3-5-7-9-11-24-26-27-25-11/h1-10H2,(H,23,28)(H,24,25,26,27)
InChIKeyCUUJTTXHZJRFHZ-UHFFFAOYSA-N
XLogP3.81
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.36
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[10-(2H-tetrazol-5-yl)decyl]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[10-(2H-tetrazol-5-yl)decyl]butanamide (CID 15009177) is 2,2,3,3,4,4,4-heptafluoro-N-[10-(2H-tetrazol-5-yl)decyl]butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[10-(2H-tetrazol-5-yl)decyl]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[10-(2H-tetrazol-5-yl)decyl]butanamide is O=C(NCCCCCCCCCCc1nn[nH]n1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-[10-(2H-tetrazol-5-yl)decyl]butanamide?
The InChIKey is CUUJTTXHZJRFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F7N5O/c16-13(17,14(18,19)15(20,21)22)12(28)23-10-8-6-4-2-1-3-5-7-9-11-24-26-27-25-11/h1-10H2,(H,23,28)(H,24,25,26,27).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[10-(2H-tetrazol-5-yl)decyl]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[10-(2H-tetrazol-5-yl)decyl]butanamide has a molecular weight of 421.36 g/mol, XLogP of 3.81, 13 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-[10-(2H-tetrazol-5-yl)decyl]butanamide is sourced from PubChem (CID 15009177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).