[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyltriazol-4-yl]methanol

C11H11ClFN3O — CID 82203835

IUPAC[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyltriazol-4-yl]methanol
SMILESCc1c(CO)nnn1Cc1c(F)cccc1Cl
InChIInChI=1S/C11H11ClFN3O/c1-7-11(6-17)14-15-16(7)5-8-9(12)3-2-4-10(8)13/h2-4,17H,5-6H2,1H3
InChIKeyOIDLSHBIOCEIMW-UHFFFAOYSA-N
MW255.68 g/mol
LogP1.92
Rot. Bonds3

About [1-[(2-chloro-6-fluorophenyl)methyl]-5-methyltriazol-4-yl]methanol

[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyltriazol-4-yl]methanol (PubChem CID 82203835) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is [1-[(2-chloro-6-fluorophenyl)methyl]-5-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyltriazol-4-yl]methanol
PubChem CID82203835
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyltriazol-4-yl]methanol
SMILESCc1c(CO)nnn1Cc1c(F)cccc1Cl
InChIInChI=1S/C11H11ClFN3O/c1-7-11(6-17)14-15-16(7)5-8-9(12)3-2-4-10(8)13/h2-4,17H,5-6H2,1H3
InChIKeyOIDLSHBIOCEIMW-UHFFFAOYSA-N
XLogP1.92
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]-5-methyltriazol-4-yl]methanol?
The IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]-5-methyltriazol-4-yl]methanol (CID 82203835) is [1-[(2-chloro-6-fluorophenyl)methyl]-5-methyltriazol-4-yl]methanol.
What is the SMILES notation for [1-[(2-chloro-6-fluorophenyl)methyl]-5-methyltriazol-4-yl]methanol?
The canonical SMILES for [1-[(2-chloro-6-fluorophenyl)methyl]-5-methyltriazol-4-yl]methanol is Cc1c(CO)nnn1Cc1c(F)cccc1Cl.
What is the InChIKey of [1-[(2-chloro-6-fluorophenyl)methyl]-5-methyltriazol-4-yl]methanol?
The InChIKey is OIDLSHBIOCEIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c1-7-11(6-17)14-15-16(7)5-8-9(12)3-2-4-10(8)13/h2-4,17H,5-6H2,1H3.
What are the key properties of [1-[(2-chloro-6-fluorophenyl)methyl]-5-methyltriazol-4-yl]methanol?
[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyltriazol-4-yl]methanol has a molecular weight of 255.68 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-6-fluorophenyl)methyl]-5-methyltriazol-4-yl]methanol is sourced from PubChem (CID 82203835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).