2,2,2-trifluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide

C10H8F3N5O — CID 14253820

IUPAC2,2,2-trifluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide
SMILESO=C(Nc1ccc(Cc2nn[nH]n2)cc1)C(F)(F)F
InChIInChI=1S/C10H8F3N5O/c11-10(12,13)9(19)14-7-3-1-6(2-4-7)5-8-15-17-18-16-8/h1-4H,5H2,(H,14,19)(H,15,16,17,18)
InChIKeyULPZVXFWQRBEKY-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.29
Rot. Bonds3

About 2,2,2-trifluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide

2,2,2-trifluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide (PubChem CID 14253820) has the molecular formula C10H8F3N5O and a molecular weight of 271.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide
PubChem CID14253820
Molecular FormulaC10H8F3N5O
Molecular Weight271.20 g/mol
Exact Mass271.07
IUPAC Name2,2,2-trifluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide
SMILESO=C(Nc1ccc(Cc2nn[nH]n2)cc1)C(F)(F)F
InChIInChI=1S/C10H8F3N5O/c11-10(12,13)9(19)14-7-3-1-6(2-4-7)5-8-15-17-18-16-8/h1-4H,5H2,(H,14,19)(H,15,16,17,18)
InChIKeyULPZVXFWQRBEKY-UHFFFAOYSA-N
XLogP1.29
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-(2H-Tetrazol-5-yl)phenyl)acetamide
CID 3055901
N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 890652
N1-(2,4-difluorophenyl)-2-(2H-1,2,3,4-tetraazol-5-yl)acetamide
CID 2799349
N-[2-(2H-Tetrazol-5-yl)phenyl]acetamide
CID 4440906
2-(1H-tetrazol-5-yl)acetanilide
CID 12590729
N-[2-(2-Ethyl-2H-tetrazol-5-yl)-phenyl]-2,2,2-trifluoro-acetamide
CID 652435
2-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 137628322
2,2,3,3,4,4,4-Heptafluoro-N-[4-(1H-tetrazol-5-ylmethyl)phenyl]butanamide
CID 14253809
N-[4-[(2H-Tetrazol-5-yl)methyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 14253811
N-[3-[(2H-Tetrazol-5-yl)methyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 14253813
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-N-[4-[(2H-tetrazol-5-yl)methyl]phenyl]nonanamide
CID 14253814
2,2,3,3,4,4,4-Heptafluoro-N-[2-(1H-tetrazol-5-ylmethyl)phenyl]butanamide
CID 14253815

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide (CID 14253820) is 2,2,2-trifluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide is O=C(Nc1ccc(Cc2nn[nH]n2)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide?
The InChIKey is ULPZVXFWQRBEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O/c11-10(12,13)9(19)14-7-3-1-6(2-4-7)5-8-15-17-18-16-8/h1-4H,5H2,(H,14,19)(H,15,16,17,18).
What are the key properties of 2,2,2-trifluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide?
2,2,2-trifluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide has a molecular weight of 271.20 g/mol, XLogP of 1.29, 3 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-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 14253820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).