5-(4-chloro-3-methylphenyl)-2-[(2,2-difluorocyclopropyl)methyl]tetrazole

C12H11ClF2N4 — CID 174351178

IUPAC5-(4-chloro-3-methylphenyl)-2-[(2,2-difluorocyclopropyl)methyl]tetrazole
SMILESCc1cc(-c2nnn(CC3CC3(F)F)n2)ccc1Cl
InChIInChI=1S/C12H11ClF2N4/c1-7-4-8(2-3-10(7)13)11-16-18-19(17-11)6-9-5-12(9,14)15/h2-4,9H,5-6H2,1H3
InChIKeyPIDWVCWCKNKGFE-UHFFFAOYSA-N
MW284.70 g/mol
LogP2.96
Rot. Bonds3

About 5-(4-chloro-3-methylphenyl)-2-[(2,2-difluorocyclopropyl)methyl]tetrazole

5-(4-chloro-3-methylphenyl)-2-[(2,2-difluorocyclopropyl)methyl]tetrazole (PubChem CID 174351178) has the molecular formula C12H11ClF2N4 and a molecular weight of 284.70 g/mol. Its IUPAC name is 5-(4-chloro-3-methylphenyl)-2-[(2,2-difluorocyclopropyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(4-chloro-3-methylphenyl)-2-[(2,2-difluorocyclopropyl)methyl]tetrazole
PubChem CID174351178
Molecular FormulaC12H11ClF2N4
Molecular Weight284.70 g/mol
Exact Mass284.06
IUPAC Name5-(4-chloro-3-methylphenyl)-2-[(2,2-difluorocyclopropyl)methyl]tetrazole
SMILESCc1cc(-c2nnn(CC3CC3(F)F)n2)ccc1Cl
InChIInChI=1S/C12H11ClF2N4/c1-7-4-8(2-3-10(7)13)11-16-18-19(17-11)6-9-5-12(9,14)15/h2-4,9H,5-6H2,1H3
InChIKeyPIDWVCWCKNKGFE-UHFFFAOYSA-N
XLogP2.96
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-methylphenyl)-2-[(2,2-difluorocyclopropyl)methyl]tetrazole?
The IUPAC name of 5-(4-chloro-3-methylphenyl)-2-[(2,2-difluorocyclopropyl)methyl]tetrazole (CID 174351178) is 5-(4-chloro-3-methylphenyl)-2-[(2,2-difluorocyclopropyl)methyl]tetrazole.
What is the SMILES notation for 5-(4-chloro-3-methylphenyl)-2-[(2,2-difluorocyclopropyl)methyl]tetrazole?
The canonical SMILES for 5-(4-chloro-3-methylphenyl)-2-[(2,2-difluorocyclopropyl)methyl]tetrazole is Cc1cc(-c2nnn(CC3CC3(F)F)n2)ccc1Cl.
What is the InChIKey of 5-(4-chloro-3-methylphenyl)-2-[(2,2-difluorocyclopropyl)methyl]tetrazole?
The InChIKey is PIDWVCWCKNKGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N4/c1-7-4-8(2-3-10(7)13)11-16-18-19(17-11)6-9-5-12(9,14)15/h2-4,9H,5-6H2,1H3.
What are the key properties of 5-(4-chloro-3-methylphenyl)-2-[(2,2-difluorocyclopropyl)methyl]tetrazole?
5-(4-chloro-3-methylphenyl)-2-[(2,2-difluorocyclopropyl)methyl]tetrazole has a molecular weight of 284.70 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-methylphenyl)-2-[(2,2-difluorocyclopropyl)methyl]tetrazole is sourced from PubChem (CID 174351178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).