(2,4-difluorophenyl)-[1-(1,2,4-triazol-1-yl)cyclopropyl]methanone

C24H18F4N6O2 — CID 139082217

IUPAC(2,4-difluorophenyl)-[1-(1,2,4-triazol-1-yl)cyclopropyl]methanone
SMILESO=C(c1ccc(F)cc1F)C1(n2cncn2)CC1.O=C(c1ccc(F)cc1F)C1(n2cncn2)CC1
InChIInChI=1S/2C12H9F2N3O/c2*13-8-1-2-9(10(14)5-8)11(18)12(3-4-12)17-7-15-6-16-17/h2*1-2,5-7H,3-4H2
InChIKeyUWLSZJJSBJNKHG-UHFFFAOYSA-N
MW498.44 g/mol
LogP3.86
Rot. Bonds6

About (2,4-difluorophenyl)-[1-(1,2,4-triazol-1-yl)cyclopropyl]methanone

(2,4-difluorophenyl)-[1-(1,2,4-triazol-1-yl)cyclopropyl]methanone (PubChem CID 139082217) has the molecular formula C24H18F4N6O2 and a molecular weight of 498.44 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[1-(1,2,4-triazol-1-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[1-(1,2,4-triazol-1-yl)cyclopropyl]methanone
PubChem CID139082217
Molecular FormulaC24H18F4N6O2
Molecular Weight498.44 g/mol
Exact Mass498.14
IUPAC Name(2,4-difluorophenyl)-[1-(1,2,4-triazol-1-yl)cyclopropyl]methanone
SMILESO=C(c1ccc(F)cc1F)C1(n2cncn2)CC1.O=C(c1ccc(F)cc1F)C1(n2cncn2)CC1
InChIInChI=1S/2C12H9F2N3O/c2*13-8-1-2-9(10(14)5-8)11(18)12(3-4-12)17-7-15-6-16-17/h2*1-2,5-7H,3-4H2
InChIKeyUWLSZJJSBJNKHG-UHFFFAOYSA-N
XLogP3.86
TPSA95.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.44
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

bis[4-fluoro-2-[1-(1,2,4-triazol-1-yl)cyclopropyl]phenyl]methanone
CID 70387165
[1-(1,2,4-triazol-1-yl)cyclopropyl]-[4-(trifluoromethyl)phenyl]methanone
CID 22369153
(2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone
CID 103447921
1-(2,4-difluorophenyl)-3-phenyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
CID 90719233
(E)-1-(2,4-difluorophenyl)-3-(4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
CID 141189353
3-(1,2,4-triazol-1-yl)thiolane-3-carboxylic acid
CID 82235107
(2,4-difluorophenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145840
1-[4-(2,4-difluorobenzoyl)-4-hydroxypiperidin-1-yl]prop-2-en-1-one
CID 166415252
2,4-difluoro-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 8820407
ethyl 1-(2,4-difluorobenzoyl)cyclopropane-1-carboxylate
CID 14994815
2,4-difluorobenzoyl bromide
CID 87349807
1-(2,4-difluorophenyl)-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 86912268

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[1-(1,2,4-triazol-1-yl)cyclopropyl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[1-(1,2,4-triazol-1-yl)cyclopropyl]methanone (CID 139082217) is (2,4-difluorophenyl)-[1-(1,2,4-triazol-1-yl)cyclopropyl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[1-(1,2,4-triazol-1-yl)cyclopropyl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[1-(1,2,4-triazol-1-yl)cyclopropyl]methanone is O=C(c1ccc(F)cc1F)C1(n2cncn2)CC1.O=C(c1ccc(F)cc1F)C1(n2cncn2)CC1.
What is the InChIKey of (2,4-difluorophenyl)-[1-(1,2,4-triazol-1-yl)cyclopropyl]methanone?
The InChIKey is UWLSZJJSBJNKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H9F2N3O/c2*13-8-1-2-9(10(14)5-8)11(18)12(3-4-12)17-7-15-6-16-17/h2*1-2,5-7H,3-4H2.
What are the key properties of (2,4-difluorophenyl)-[1-(1,2,4-triazol-1-yl)cyclopropyl]methanone?
(2,4-difluorophenyl)-[1-(1,2,4-triazol-1-yl)cyclopropyl]methanone has a molecular weight of 498.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[1-(1,2,4-triazol-1-yl)cyclopropyl]methanone is sourced from PubChem (CID 139082217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).