5-(3-chloro-2-fluorophenyl)-2H-tetrazole

C7H4ClFN4 — CID 63034901

IUPAC5-(3-chloro-2-fluorophenyl)-2H-tetrazole
SMILESFc1c(Cl)cccc1-c1nn[nH]n1
InChIInChI=1S/C7H4ClFN4/c8-5-3-1-2-4(6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChIKeyZIXQHIRFZLCQEN-UHFFFAOYSA-N
MW198.59 g/mol
LogP1.66
Rot. Bonds1

About 5-(3-chloro-2-fluorophenyl)-2H-tetrazole

5-(3-chloro-2-fluorophenyl)-2H-tetrazole (PubChem CID 63034901) has the molecular formula C7H4ClFN4 and a molecular weight of 198.59 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenyl)-2H-tetrazole
PubChem CID63034901
Molecular FormulaC7H4ClFN4
Molecular Weight198.59 g/mol
Exact Mass198.01
IUPAC Name5-(3-chloro-2-fluorophenyl)-2H-tetrazole
SMILESFc1c(Cl)cccc1-c1nn[nH]n1
InChIInChI=1S/C7H4ClFN4/c8-5-3-1-2-4(6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChIKeyZIXQHIRFZLCQEN-UHFFFAOYSA-N
XLogP1.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.59
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline
CID 125465363
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine
CID 114488377
5-[2-(difluoromethoxy)phenyl]-2H-tetrazole
CID 7017704
5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
CID 81265191
5-(3-chlorophenyl)-2H-tetrazole;5-(2-fluorophenyl)-2H-tetrazole;octakis(5-(4-methylphenyl)-2H-tetrazole);5-phenyl-2H-tetrazole
CID 159225872
N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline
CID 125465468
4-chloro-2-(3-chloro-2-fluorophenyl)-6-ethylpyrimidine
CID 114488346
5-chloro-2-[2-(2H-tetrazol-5-yl)phenoxy]phenol
CID 157441605
2-(3-chloro-2-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 114488722
5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
CID 159309326
5-(4-chloro-2-iodophenyl)-2H-tetrazole
CID 68634158

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenyl)-2H-tetrazole?
The IUPAC name of 5-(3-chloro-2-fluorophenyl)-2H-tetrazole (CID 63034901) is 5-(3-chloro-2-fluorophenyl)-2H-tetrazole.
What is the SMILES notation for 5-(3-chloro-2-fluorophenyl)-2H-tetrazole?
The canonical SMILES for 5-(3-chloro-2-fluorophenyl)-2H-tetrazole is Fc1c(Cl)cccc1-c1nn[nH]n1.
What is the InChIKey of 5-(3-chloro-2-fluorophenyl)-2H-tetrazole?
The InChIKey is ZIXQHIRFZLCQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFN4/c8-5-3-1-2-4(6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13).
What are the key properties of 5-(3-chloro-2-fluorophenyl)-2H-tetrazole?
5-(3-chloro-2-fluorophenyl)-2H-tetrazole has a molecular weight of 198.59 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorophenyl)-2H-tetrazole is sourced from PubChem (CID 63034901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).