[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-ethyltriazol-4-yl]methanol

C12H10Cl2F3N3O — CID 19778380

IUPAC[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-ethyltriazol-4-yl]methanol
SMILESCCc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1CO
InChIInChI=1S/C12H10Cl2F3N3O/c1-2-9-10(5-21)19-20(18-9)11-7(13)3-6(4-8(11)14)12(15,16)17/h3-4,21H,2,5H2,1H3
InChIKeyUPUXOADMBIQNRO-UHFFFAOYSA-N
MW340.13 g/mol
LogP3.65
Rot. Bonds3

About [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-ethyltriazol-4-yl]methanol

[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-ethyltriazol-4-yl]methanol (PubChem CID 19778380) has the molecular formula C12H10Cl2F3N3O and a molecular weight of 340.13 g/mol. Its IUPAC name is [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-ethyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-ethyltriazol-4-yl]methanol
PubChem CID19778380
Molecular FormulaC12H10Cl2F3N3O
Molecular Weight340.13 g/mol
Exact Mass339.02
IUPAC Name[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-ethyltriazol-4-yl]methanol
SMILESCCc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1CO
InChIInChI=1S/C12H10Cl2F3N3O/c1-2-9-10(5-21)19-20(18-9)11-7(13)3-6(4-8(11)14)12(15,16)17/h3-4,21H,2,5H2,1H3
InChIKeyUPUXOADMBIQNRO-UHFFFAOYSA-N
XLogP3.65
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.13
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-ethyltriazol-4-yl]methanol?
The IUPAC name of [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-ethyltriazol-4-yl]methanol (CID 19778380) is [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-ethyltriazol-4-yl]methanol.
What is the SMILES notation for [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-ethyltriazol-4-yl]methanol?
The canonical SMILES for [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-ethyltriazol-4-yl]methanol is CCc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1CO.
What is the InChIKey of [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-ethyltriazol-4-yl]methanol?
The InChIKey is UPUXOADMBIQNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2F3N3O/c1-2-9-10(5-21)19-20(18-9)11-7(13)3-6(4-8(11)14)12(15,16)17/h3-4,21H,2,5H2,1H3.
What are the key properties of [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-ethyltriazol-4-yl]methanol?
[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-ethyltriazol-4-yl]methanol has a molecular weight of 340.13 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-ethyltriazol-4-yl]methanol is sourced from PubChem (CID 19778380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).