5-(5-fluoro-2-propan-2-ylphenyl)-2H-tetrazole

C10H11FN4 — CID 169269212

IUPAC5-(5-fluoro-2-propan-2-ylphenyl)-2H-tetrazole
SMILESCC(C)c1ccc(F)cc1-c1nn[nH]n1
InChIInChI=1S/C10H11FN4/c1-6(2)8-4-3-7(11)5-9(8)10-12-14-15-13-10/h3-6H,1-2H3,(H,12,13,14,15)
InChIKeyFHVXPTUJIGFNNC-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.13
Rot. Bonds2

About 5-(5-fluoro-2-propan-2-ylphenyl)-2H-tetrazole

5-(5-fluoro-2-propan-2-ylphenyl)-2H-tetrazole (PubChem CID 169269212) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-(5-fluoro-2-propan-2-ylphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(5-fluoro-2-propan-2-ylphenyl)-2H-tetrazole
PubChem CID169269212
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name5-(5-fluoro-2-propan-2-ylphenyl)-2H-tetrazole
SMILESCC(C)c1ccc(F)cc1-c1nn[nH]n1
InChIInChI=1S/C10H11FN4/c1-6(2)8-4-3-7(11)5-9(8)10-12-14-15-13-10/h3-6H,1-2H3,(H,12,13,14,15)
InChIKeyFHVXPTUJIGFNNC-UHFFFAOYSA-N
XLogP2.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-bromo-5-fluorophenyl)-2H-tetrazole
CID 21069926
6-fluoro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one
CID 135623219
5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole
CID 138571044
N-(4-fluorophenyl)-N-[[4-[5-fluoro-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3-methylbutanamide
CID 162644087
4-(4-fluorophenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]benzene-1,2-diol
CID 136929552
(1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
CID 163289288
(1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol
CID 163289289
5-[2-(difluoromethoxy)phenyl]-2H-tetrazole
CID 7017704
N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide
CID 171357428
1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine
CID 162214030
5-(2,4-dimethoxyphenyl)-2H-tetrazole
CID 82077250
2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene
CID 58278987

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-propan-2-ylphenyl)-2H-tetrazole?
The IUPAC name of 5-(5-fluoro-2-propan-2-ylphenyl)-2H-tetrazole (CID 169269212) is 5-(5-fluoro-2-propan-2-ylphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(5-fluoro-2-propan-2-ylphenyl)-2H-tetrazole?
The canonical SMILES for 5-(5-fluoro-2-propan-2-ylphenyl)-2H-tetrazole is CC(C)c1ccc(F)cc1-c1nn[nH]n1.
What is the InChIKey of 5-(5-fluoro-2-propan-2-ylphenyl)-2H-tetrazole?
The InChIKey is FHVXPTUJIGFNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-6(2)8-4-3-7(11)5-9(8)10-12-14-15-13-10/h3-6H,1-2H3,(H,12,13,14,15).
What are the key properties of 5-(5-fluoro-2-propan-2-ylphenyl)-2H-tetrazole?
5-(5-fluoro-2-propan-2-ylphenyl)-2H-tetrazole has a molecular weight of 206.22 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-propan-2-ylphenyl)-2H-tetrazole is sourced from PubChem (CID 169269212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).