2,2,2-trifluoro-N-[5-(2H-tetrazol-5-yl)pentyl]acetamide

C8H12F3N5O — CID 15164342

IUPAC2,2,2-trifluoro-N-[5-(2H-tetrazol-5-yl)pentyl]acetamide
SMILESO=C(NCCCCCc1nn[nH]n1)C(F)(F)F
InChIInChI=1S/C8H12F3N5O/c9-8(10,11)7(17)12-5-3-1-2-4-6-13-15-16-14-6/h1-5H2,(H,12,17)(H,13,14,15,16)
InChIKeyCRVCMCQCVJJWHL-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.59
Rot. Bonds6

About 2,2,2-trifluoro-N-[5-(2H-tetrazol-5-yl)pentyl]acetamide

2,2,2-trifluoro-N-[5-(2H-tetrazol-5-yl)pentyl]acetamide (PubChem CID 15164342) has the molecular formula C8H12F3N5O and a molecular weight of 251.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[5-(2H-tetrazol-5-yl)pentyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[5-(2H-tetrazol-5-yl)pentyl]acetamide
PubChem CID15164342
Molecular FormulaC8H12F3N5O
Molecular Weight251.21 g/mol
Exact Mass251.10
IUPAC Name2,2,2-trifluoro-N-[5-(2H-tetrazol-5-yl)pentyl]acetamide
SMILESO=C(NCCCCCc1nn[nH]n1)C(F)(F)F
InChIInChI=1S/C8H12F3N5O/c9-8(10,11)7(17)12-5-3-1-2-4-6-13-15-16-14-6/h1-5H2,(H,12,17)(H,13,14,15,16)
InChIKeyCRVCMCQCVJJWHL-UHFFFAOYSA-N
XLogP0.59
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[5-(2H-tetrazol-5-yl)pentyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[5-(2H-tetrazol-5-yl)pentyl]acetamide (CID 15164342) is 2,2,2-trifluoro-N-[5-(2H-tetrazol-5-yl)pentyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[5-(2H-tetrazol-5-yl)pentyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[5-(2H-tetrazol-5-yl)pentyl]acetamide is O=C(NCCCCCc1nn[nH]n1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[5-(2H-tetrazol-5-yl)pentyl]acetamide?
The InChIKey is CRVCMCQCVJJWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5O/c9-8(10,11)7(17)12-5-3-1-2-4-6-13-15-16-14-6/h1-5H2,(H,12,17)(H,13,14,15,16).
What are the key properties of 2,2,2-trifluoro-N-[5-(2H-tetrazol-5-yl)pentyl]acetamide?
2,2,2-trifluoro-N-[5-(2H-tetrazol-5-yl)pentyl]acetamide has a molecular weight of 251.21 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[5-(2H-tetrazol-5-yl)pentyl]acetamide is sourced from PubChem (CID 15164342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).