1-[2,4-dichloro-3-(trifluoromethyl)phenyl]tetrazole

C8H3Cl2F3N4 — CID 146424986

IUPAC1-[2,4-dichloro-3-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1c(Cl)ccc(-n2cnnn2)c1Cl
InChIInChI=1S/C8H3Cl2F3N4/c9-4-1-2-5(17-3-14-15-16-17)7(10)6(4)8(11,12)13/h1-3H
InChIKeyJLPCBNBNAWIOJH-UHFFFAOYSA-N
MW283.04 g/mol
LogP2.99
Rot. Bonds1

About 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]tetrazole

1-[2,4-dichloro-3-(trifluoromethyl)phenyl]tetrazole (PubChem CID 146424986) has the molecular formula C8H3Cl2F3N4 and a molecular weight of 283.04 g/mol. Its IUPAC name is 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name1-[2,4-dichloro-3-(trifluoromethyl)phenyl]tetrazole
PubChem CID146424986
Molecular FormulaC8H3Cl2F3N4
Molecular Weight283.04 g/mol
Exact Mass281.97
IUPAC Name1-[2,4-dichloro-3-(trifluoromethyl)phenyl]tetrazole
SMILESFC(F)(F)c1c(Cl)ccc(-n2cnnn2)c1Cl
InChIInChI=1S/C8H3Cl2F3N4/c9-4-1-2-5(17-3-14-15-16-17)7(10)6(4)8(11,12)13/h1-3H
InChIKeyJLPCBNBNAWIOJH-UHFFFAOYSA-N
XLogP2.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.04
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Chloro-4-methyl-phenyl)-1H-tetrazole
CID 781449
4-[2,4-Dichloro-3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 146424929
1-[4-Chloro-3-(trifluoromethyl)phenyl]tetrazole
CID 125728453
1-[4-Chloro-3-(trifluoromethyl)phenyl]-5-methyltetrazole
CID 146437871
5-Chloro-1-[3-chloro-4-(trifluoromethyl)phenyl]tetrazole
CID 19609786
1-(4-Chloro-3-methylphenyl)-5-(trifluoromethyl)tetrazole
CID 53654490
1-[4-chloro-3-fluoro-2-[(E)-prop-1-enyl]phenyl]tetrazole
CID 68096959
1-(4-Chloro-3-fluoro-2-prop-1-enylphenyl)tetrazole
CID 77408276
1-[2-Chloro-5-(trifluoromethyl)phenyl]tetrazol-5-amine
CID 79506304
1-(4-Chloro-3-fluoro-2-methylphenyl)tetrazole
CID 89509992
1-(4-Chloro-2-ethyl-3-fluorophenyl)tetrazole
CID 89510013
3,5-Dichloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 91549025

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]tetrazole (CID 146424986) is 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]tetrazole is FC(F)(F)c1c(Cl)ccc(-n2cnnn2)c1Cl.
What is the InChIKey of 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is JLPCBNBNAWIOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F3N4/c9-4-1-2-5(17-3-14-15-16-17)7(10)6(4)8(11,12)13/h1-3H.
What are the key properties of 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]tetrazole?
1-[2,4-dichloro-3-(trifluoromethyl)phenyl]tetrazole has a molecular weight of 283.04 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 146424986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).