2,2,3,3,4,4,5,5,5-nonafluoro-N-[4-(2H-tetrazol-5-yl)butyl]pentanamide

C10H10F9N5O — CID 15009178

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-N-[4-(2H-tetrazol-5-yl)butyl]pentanamide
SMILESO=C(NCCCCc1nn[nH]n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F9N5O/c11-7(12,8(13,14)9(15,16)10(17,18)19)6(25)20-4-2-1-3-5-21-23-24-22-5/h1-4H2,(H,20,25)(H,21,22,23,24)
InChIKeyMYUPIHBTVVQNSF-UHFFFAOYSA-N
MW387.21 g/mol
LogP2.11
Rot. Bonds8

About 2,2,3,3,4,4,5,5,5-nonafluoro-N-[4-(2H-tetrazol-5-yl)butyl]pentanamide

2,2,3,3,4,4,5,5,5-nonafluoro-N-[4-(2H-tetrazol-5-yl)butyl]pentanamide (PubChem CID 15009178) has the molecular formula C10H10F9N5O and a molecular weight of 387.21 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-N-[4-(2H-tetrazol-5-yl)butyl]pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-N-[4-(2H-tetrazol-5-yl)butyl]pentanamide
PubChem CID15009178
Molecular FormulaC10H10F9N5O
Molecular Weight387.21 g/mol
Exact Mass387.07
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-N-[4-(2H-tetrazol-5-yl)butyl]pentanamide
SMILESO=C(NCCCCc1nn[nH]n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F9N5O/c11-7(12,8(13,14)9(15,16)10(17,18)19)6(25)20-4-2-1-3-5-21-23-24-22-5/h1-4H2,(H,20,25)(H,21,22,23,24)
InChIKeyMYUPIHBTVVQNSF-UHFFFAOYSA-N
XLogP2.11
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.21
LogP ≤ 52.11
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 2,2,3,3,4,4,5,5,5-nonafluoro-N-[4-(2H-tetrazol-5-yl)butyl]pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[4-(2H-tetrazol-5-yl)butyl]pentanamide (CID 15009178) is 2,2,3,3,4,4,5,5,5-nonafluoro-N-[4-(2H-tetrazol-5-yl)butyl]pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-N-[4-(2H-tetrazol-5-yl)butyl]pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-N-[4-(2H-tetrazol-5-yl)butyl]pentanamide is O=C(NCCCCc1nn[nH]n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[4-(2H-tetrazol-5-yl)butyl]pentanamide?
The InChIKey is MYUPIHBTVVQNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F9N5O/c11-7(12,8(13,14)9(15,16)10(17,18)19)6(25)20-4-2-1-3-5-21-23-24-22-5/h1-4H2,(H,20,25)(H,21,22,23,24).
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-N-[4-(2H-tetrazol-5-yl)butyl]pentanamide?
2,2,3,3,4,4,5,5,5-nonafluoro-N-[4-(2H-tetrazol-5-yl)butyl]pentanamide has a molecular weight of 387.21 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-N-[4-(2H-tetrazol-5-yl)butyl]pentanamide is sourced from PubChem (CID 15009178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).