5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole

C8H4ClF3N4 — CID 3727571

IUPAC5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1cccc(-n2nnnc2Cl)c1
InChIInChI=1S/C8H4ClF3N4/c9-7-13-14-15-16(7)6-3-1-2-5(4-6)8(10,11)12/h1-4H
InChIKeyCEIULIRBKKDLLT-UHFFFAOYSA-N
MW248.60 g/mol
LogP2.33
Rot. Bonds1

About 5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole

5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole (PubChem CID 3727571) has the molecular formula C8H4ClF3N4 and a molecular weight of 248.60 g/mol. Its IUPAC name is 5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole
PubChem CID3727571
Molecular FormulaC8H4ClF3N4
Molecular Weight248.60 g/mol
Exact Mass248.01
IUPAC Name5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1cccc(-n2nnnc2Cl)c1
InChIInChI=1S/C8H4ClF3N4/c9-7-13-14-15-16(7)6-3-1-2-5(4-6)8(10,11)12/h1-4H
InChIKeyCEIULIRBKKDLLT-UHFFFAOYSA-N
XLogP2.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.60
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride
CID 72716165
4-(4-chlorophenyl)-2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole
CID 18709240
N-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]cyclohexanamine
CID 50812272
1-[(E)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 6261307
5-chloro-3-(difluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 66020727
3-chloro-5-ethyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 63384058
5-chloro-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 123543112
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1026931
3-chloro-2-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 66023397
5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole
CID 134105821
5-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 107447268
3-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 178199956

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole (CID 3727571) is 5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole is FC(F)(F)c1cccc(-n2nnnc2Cl)c1.
What is the InChIKey of 5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is CEIULIRBKKDLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N4/c9-7-13-14-15-16(7)6-3-1-2-5(4-6)8(10,11)12/h1-4H.
What are the key properties of 5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole?
5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole has a molecular weight of 248.60 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 3727571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).