5-(4-chloro-2-fluorophenyl)-2-cyclopropyltetrazole

C10H8ClFN4 — CID 178043547

IUPAC5-(4-chloro-2-fluorophenyl)-2-cyclopropyltetrazole
SMILESFc1cc(Cl)ccc1-c1nnn(C2CC2)n1
InChIInChI=1S/C10H8ClFN4/c11-6-1-4-8(9(12)5-6)10-13-15-16(14-10)7-2-3-7/h1,4-5,7H,2-3H2
InChIKeyVMMPEVACIOGXKE-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.47
Rot. Bonds2

About 5-(4-chloro-2-fluorophenyl)-2-cyclopropyltetrazole

5-(4-chloro-2-fluorophenyl)-2-cyclopropyltetrazole (PubChem CID 178043547) has the molecular formula C10H8ClFN4 and a molecular weight of 238.65 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-2-cyclopropyltetrazole.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-2-cyclopropyltetrazole
PubChem CID178043547
Molecular FormulaC10H8ClFN4
Molecular Weight238.65 g/mol
Exact Mass238.04
IUPAC Name5-(4-chloro-2-fluorophenyl)-2-cyclopropyltetrazole
SMILESFc1cc(Cl)ccc1-c1nnn(C2CC2)n1
InChIInChI=1S/C10H8ClFN4/c11-6-1-4-8(9(12)5-6)10-13-15-16(14-10)7-2-3-7/h1,4-5,7H,2-3H2
InChIKeyVMMPEVACIOGXKE-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-5-(2-fluoro-4-methylphenyl)tetrazole
CID 178041058
3-[[3-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]thiane 1,1-dioxide
CID 138995330
1-O-tert-butyl 2-O-methyl (2S,4S)-4-[5-(2,4-difluorophenyl)tetrazol-2-yl]pyrrolidine-1,2-dicarboxylate
CID 66915942
4-chloro-5-[2-(3,3-difluorocyclobutyl)tetrazol-5-yl]-2-methylaniline
CID 171656343
5-(4-chloro-2-fluorophenyl)-3-cyclopropyl-2-ethylimidazol-4-amine
CID 114859682
3,7-dichloro-2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 18684541
CID 59526771
CID 59526771
3-(4-chloro-2,5-difluorophenyl)-4-cyclopropyl-1,2,4-triazole
CID 82773685
3-(4-chloro-2-fluorophenyl)-4-propan-2-yl-1,2,4-triazole
CID 115394043
5-[(4-chlorophenyl)methyl]-7-[2-(5,5-difluoro-1-methylpiperidin-3-yl)tetrazol-5-yl]-8-fluoro-1,1-dioxo-2,3-dihydro-1λ6,5-benzothiazepin-4-one
CID 164873955
[5-(5-chloro-2-fluorophenyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
CID 112593158
2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole
CID 63383605

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-2-cyclopropyltetrazole?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-2-cyclopropyltetrazole (CID 178043547) is 5-(4-chloro-2-fluorophenyl)-2-cyclopropyltetrazole.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-2-cyclopropyltetrazole?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-2-cyclopropyltetrazole is Fc1cc(Cl)ccc1-c1nnn(C2CC2)n1.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-2-cyclopropyltetrazole?
The InChIKey is VMMPEVACIOGXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4/c11-6-1-4-8(9(12)5-6)10-13-15-16(14-10)7-2-3-7/h1,4-5,7H,2-3H2.
What are the key properties of 5-(4-chloro-2-fluorophenyl)-2-cyclopropyltetrazole?
5-(4-chloro-2-fluorophenyl)-2-cyclopropyltetrazole has a molecular weight of 238.65 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-2-cyclopropyltetrazole is sourced from PubChem (CID 178043547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).