(1R)-1-[5-(2-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]ethanol

C11H11ClFN3O — CID 58243491

IUPAC(1R)-1-[5-(2-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]ethanol
SMILESC[C@@H](O)c1nnc(-c2ccc(F)cc2Cl)n1C
InChIInChI=1S/C11H11ClFN3O/c1-6(17)10-14-15-11(16(10)2)8-4-3-7(13)5-9(8)12/h3-6,17H,1-2H3/t6-/m1/s1
InChIKeyAHZSMIDGWBDKEV-ZCFIWIBFSA-N
MW255.68 g/mol
LogP2.33
Rot. Bonds2

About (1R)-1-[5-(2-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]ethanol

(1R)-1-[5-(2-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]ethanol (PubChem CID 58243491) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is (1R)-1-[5-(2-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-(2-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]ethanol
PubChem CID58243491
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name(1R)-1-[5-(2-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]ethanol
SMILESC[C@@H](O)c1nnc(-c2ccc(F)cc2Cl)n1C
InChIInChI=1S/C11H11ClFN3O/c1-6(17)10-14-15-11(16(10)2)8-4-3-7(13)5-9(8)12/h3-6,17H,1-2H3/t6-/m1/s1
InChIKeyAHZSMIDGWBDKEV-ZCFIWIBFSA-N
XLogP2.33
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(2-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 79018402
3-(2-chloro-4-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole;hydrochloride
CID 162314574
3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 19728800
5-(2-chloro-4-fluorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596918
2-[[5-(2-chloro-4-fluorophenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115392740
N-[[3-(2-chloro-4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79493394
5-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 66614030
(2-chloro-5-fluorophenyl)-(5-chloro-1-methylimidazol-2-yl)methanol
CID 114239432
acetic acid;1,2-dichloro-4-fluorobenzene
CID 174538740
3-(chloromethyl)-5-(2-chloro-4-methylphenyl)-4-methyl-1,2,4-triazole
CID 106864685
4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 63038462
2-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrazine
CID 178073316

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(2-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of (1R)-1-[5-(2-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]ethanol (CID 58243491) is (1R)-1-[5-(2-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for (1R)-1-[5-(2-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for (1R)-1-[5-(2-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]ethanol is C[C@@H](O)c1nnc(-c2ccc(F)cc2Cl)n1C.
What is the InChIKey of (1R)-1-[5-(2-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]ethanol?
The InChIKey is AHZSMIDGWBDKEV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c1-6(17)10-14-15-11(16(10)2)8-4-3-7(13)5-9(8)12/h3-6,17H,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-1-[5-(2-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]ethanol?
(1R)-1-[5-(2-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]ethanol has a molecular weight of 255.68 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(2-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 58243491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).