1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-[1-(2,4,6-trifluorophenoxy)cyclopropyl]ethanol

C19H14F5N3O2 — CID 122589725

IUPAC1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-[1-(2,4,6-trifluorophenoxy)cyclopropyl]ethanol
SMILESOC(Cn1cncn1)(c1ccc(F)cc1F)C1(Oc2c(F)cc(F)cc2F)CC1
InChIInChI=1S/C19H14F5N3O2/c20-11-1-2-13(14(22)5-11)19(28,8-27-10-25-9-26-27)18(3-4-18)29-17-15(23)6-12(21)7-16(17)24/h1-2,5-7,9-10,28H,3-4,8H2
InChIKeySFJJCSCXRHXVJC-UHFFFAOYSA-N
MW411.33 g/mol
LogP3.47
Rot. Bonds6

About 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-[1-(2,4,6-trifluorophenoxy)cyclopropyl]ethanol

1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-[1-(2,4,6-trifluorophenoxy)cyclopropyl]ethanol (PubChem CID 122589725) has the molecular formula C19H14F5N3O2 and a molecular weight of 411.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-[1-(2,4,6-trifluorophenoxy)cyclopropyl]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-[1-(2,4,6-trifluorophenoxy)cyclopropyl]ethanol
PubChem CID122589725
Molecular FormulaC19H14F5N3O2
Molecular Weight411.33 g/mol
Exact Mass411.10
IUPAC Name1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-[1-(2,4,6-trifluorophenoxy)cyclopropyl]ethanol
SMILESOC(Cn1cncn1)(c1ccc(F)cc1F)C1(Oc2c(F)cc(F)cc2F)CC1
InChIInChI=1S/C19H14F5N3O2/c20-11-1-2-13(14(22)5-11)19(28,8-27-10-25-9-26-27)18(3-4-18)29-17-15(23)6-12(21)7-16(17)24/h1-2,5-7,9-10,28H,3-4,8H2
InChIKeySFJJCSCXRHXVJC-UHFFFAOYSA-N
XLogP3.47
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-[1-(2,4,6-trifluorophenoxy)cyclopropyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-fluoro-4-methylphenyl)-2-(1,2,4-triazol-1-yl)-1-[1-(2,4,6-trifluorophenoxy)cyclopropyl]ethyl] acetate
CID 134294493
1-[1-(3-chloro-1,2,4-triazol-1-yl)cyclopropyl]-1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
CID 14697236
2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
CID 10988840
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
1-[2-(2,4-difluorophenyl)-2-methoxy-3-(1,2,4-triazol-1-yl)propyl]-1,2,4-triazole
CID 90757078
(2R)-2-(2,4-difluorophenyl)-4-[[(3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butyl]disulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 54205825
(3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-one
CID 141476977
2-(2,4-difluorophenyl)-4,4,5,5,5-pentafluoro-3-methyl-1-(1,2,4-triazol-1-yl)pentane-2,3-diol
CID 23324898
(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 10588875
2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10447794
2-(2,4-difluorophenyl)-3,3-dimethyl-4-sulfanyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 139619155
[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]phosphonic acid
CID 175171428

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-[1-(2,4,6-trifluorophenoxy)cyclopropyl]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-[1-(2,4,6-trifluorophenoxy)cyclopropyl]ethanol (CID 122589725) is 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-[1-(2,4,6-trifluorophenoxy)cyclopropyl]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-[1-(2,4,6-trifluorophenoxy)cyclopropyl]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-[1-(2,4,6-trifluorophenoxy)cyclopropyl]ethanol is OC(Cn1cncn1)(c1ccc(F)cc1F)C1(Oc2c(F)cc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-[1-(2,4,6-trifluorophenoxy)cyclopropyl]ethanol?
The InChIKey is SFJJCSCXRHXVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5N3O2/c20-11-1-2-13(14(22)5-11)19(28,8-27-10-25-9-26-27)18(3-4-18)29-17-15(23)6-12(21)7-16(17)24/h1-2,5-7,9-10,28H,3-4,8H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-[1-(2,4,6-trifluorophenoxy)cyclopropyl]ethanol?
1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-[1-(2,4,6-trifluorophenoxy)cyclopropyl]ethanol has a molecular weight of 411.33 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-[1-(2,4,6-trifluorophenoxy)cyclopropyl]ethanol is sourced from PubChem (CID 122589725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).