1-(4-chloro-3-fluoro-2-prop-1-enylphenyl)tetrazole

C10H8ClFN4 — CID 77408276

IUPAC1-(4-chloro-3-fluoro-2-prop-1-enylphenyl)tetrazole
SMILESCC=Cc1c(-n2cnnn2)ccc(Cl)c1F
InChIInChI=1S/C10H8ClFN4/c1-2-3-7-9(16-6-13-14-15-16)5-4-8(11)10(7)12/h2-6H,1H3
InChIKeyTWQWLCWCEPBCFG-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.49
Rot. Bonds2

About 1-(4-chloro-3-fluoro-2-prop-1-enylphenyl)tetrazole

1-(4-chloro-3-fluoro-2-prop-1-enylphenyl)tetrazole (PubChem CID 77408276) has the molecular formula C10H8ClFN4 and a molecular weight of 238.65 g/mol. Its IUPAC name is 1-(4-chloro-3-fluoro-2-prop-1-enylphenyl)tetrazole.

Molecular Properties

Compound Name1-(4-chloro-3-fluoro-2-prop-1-enylphenyl)tetrazole
PubChem CID77408276
Molecular FormulaC10H8ClFN4
Molecular Weight238.65 g/mol
Exact Mass238.04
IUPAC Name1-(4-chloro-3-fluoro-2-prop-1-enylphenyl)tetrazole
SMILESCC=Cc1c(-n2cnnn2)ccc(Cl)c1F
InChIInChI=1S/C10H8ClFN4/c1-2-3-7-9(16-6-13-14-15-16)5-4-8(11)10(7)12/h2-6H,1H3
InChIKeyTWQWLCWCEPBCFG-UHFFFAOYSA-N
XLogP2.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluoro-2-prop-1-enylphenyl)tetrazole?
The IUPAC name of 1-(4-chloro-3-fluoro-2-prop-1-enylphenyl)tetrazole (CID 77408276) is 1-(4-chloro-3-fluoro-2-prop-1-enylphenyl)tetrazole.
What is the SMILES notation for 1-(4-chloro-3-fluoro-2-prop-1-enylphenyl)tetrazole?
The canonical SMILES for 1-(4-chloro-3-fluoro-2-prop-1-enylphenyl)tetrazole is CC=Cc1c(-n2cnnn2)ccc(Cl)c1F.
What is the InChIKey of 1-(4-chloro-3-fluoro-2-prop-1-enylphenyl)tetrazole?
The InChIKey is TWQWLCWCEPBCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4/c1-2-3-7-9(16-6-13-14-15-16)5-4-8(11)10(7)12/h2-6H,1H3.
What are the key properties of 1-(4-chloro-3-fluoro-2-prop-1-enylphenyl)tetrazole?
1-(4-chloro-3-fluoro-2-prop-1-enylphenyl)tetrazole has a molecular weight of 238.65 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluoro-2-prop-1-enylphenyl)tetrazole is sourced from PubChem (CID 77408276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).