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

C14H15ClFN3O — CID 82203860

IUPAC[1-[(2-chloro-6-fluorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol
SMILESOCc1nnn(Cc2c(F)cccc2Cl)c1C1CCC1
InChIInChI=1S/C14H15ClFN3O/c15-11-5-2-6-12(16)10(11)7-19-14(9-3-1-4-9)13(8-20)17-18-19/h2,5-6,9,20H,1,3-4,7-8H2
InChIKeyMGTXBIBEUXUWSU-UHFFFAOYSA-N
MW295.74 g/mol
LogP2.88
Rot. Bonds4

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

[1-[(2-chloro-6-fluorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol (PubChem CID 82203860) has the molecular formula C14H15ClFN3O and a molecular weight of 295.74 g/mol. Its IUPAC name is [1-[(2-chloro-6-fluorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-6-fluorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol
PubChem CID82203860
Molecular FormulaC14H15ClFN3O
Molecular Weight295.74 g/mol
Exact Mass295.09
IUPAC Name[1-[(2-chloro-6-fluorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol
SMILESOCc1nnn(Cc2c(F)cccc2Cl)c1C1CCC1
InChIInChI=1S/C14H15ClFN3O/c15-11-5-2-6-12(16)10(11)7-19-14(9-3-1-4-9)13(8-20)17-18-19/h2,5-6,9,20H,1,3-4,7-8H2
InChIKeyMGTXBIBEUXUWSU-UHFFFAOYSA-N
XLogP2.88
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 52.88
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-cyclobutyltriazol-4-yl]methanol?
The IUPAC name of [1-[(2-chloro-6-fluorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol (CID 82203860) is [1-[(2-chloro-6-fluorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol.
What is the SMILES notation for [1-[(2-chloro-6-fluorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol?
The canonical SMILES for [1-[(2-chloro-6-fluorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol is OCc1nnn(Cc2c(F)cccc2Cl)c1C1CCC1.
What is the InChIKey of [1-[(2-chloro-6-fluorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol?
The InChIKey is MGTXBIBEUXUWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c15-11-5-2-6-12(16)10(11)7-19-14(9-3-1-4-9)13(8-20)17-18-19/h2,5-6,9,20H,1,3-4,7-8H2.
What are the key properties of [1-[(2-chloro-6-fluorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol?
[1-[(2-chloro-6-fluorophenyl)methyl]-5-cyclobutyltriazol-4-yl]methanol has a molecular weight of 295.74 g/mol, XLogP of 2.88, 4 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-cyclobutyltriazol-4-yl]methanol is sourced from PubChem (CID 82203860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).