2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

C10H8F3N5O — CID 1243750

IUPAC2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESNC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C10H8F3N5O/c11-10(12,13)7-3-1-6(2-4-7)9-15-17-18(16-9)5-8(14)19/h1-4H,5H2,(H2,14,19)
InChIKeyBWGQVJFPYWDSIL-UHFFFAOYSA-N
MW271.20 g/mol
LogP0.84
Rot. Bonds3

About 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 1243750) has the molecular formula C10H8F3N5O and a molecular weight of 271.20 g/mol. Its IUPAC name is 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
PubChem CID1243750
Molecular FormulaC10H8F3N5O
Molecular Weight271.20 g/mol
Exact Mass271.07
IUPAC Name2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESNC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C10H8F3N5O/c11-10(12,13)7-3-1-6(2-4-7)9-15-17-18(16-9)5-8(14)19/h1-4H,5H2,(H2,14,19)
InChIKeyBWGQVJFPYWDSIL-UHFFFAOYSA-N
XLogP0.84
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (CID 1243750) is 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is NC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is BWGQVJFPYWDSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O/c11-10(12,13)7-3-1-6(2-4-7)9-15-17-18(16-9)5-8(14)19/h1-4H,5H2,(H2,14,19).
What are the key properties of 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 271.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 1243750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).