1-[[2-(2,4-difluorophenyl)-3,3-dimethyloxetan-2-yl]methyl]-1,2,4-triazole

C14H15F2N3O — CID 15008590

IUPAC1-[[2-(2,4-difluorophenyl)-3,3-dimethyloxetan-2-yl]methyl]-1,2,4-triazole
SMILESCC1(C)COC1(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2N3O/c1-13(2)7-20-14(13,6-19-9-17-8-18-19)11-4-3-10(15)5-12(11)16/h3-5,8-9H,6-7H2,1-2H3
InChIKeyFTAXTSFBLBRBGX-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.51
Rot. Bonds3

About 1-[[2-(2,4-difluorophenyl)-3,3-dimethyloxetan-2-yl]methyl]-1,2,4-triazole

1-[[2-(2,4-difluorophenyl)-3,3-dimethyloxetan-2-yl]methyl]-1,2,4-triazole (PubChem CID 15008590) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-[[2-(2,4-difluorophenyl)-3,3-dimethyloxetan-2-yl]methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[[2-(2,4-difluorophenyl)-3,3-dimethyloxetan-2-yl]methyl]-1,2,4-triazole
PubChem CID15008590
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name1-[[2-(2,4-difluorophenyl)-3,3-dimethyloxetan-2-yl]methyl]-1,2,4-triazole
SMILESCC1(C)COC1(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2N3O/c1-13(2)7-20-14(13,6-19-9-17-8-18-19)11-4-3-10(15)5-12(11)16/h3-5,8-9H,6-7H2,1-2H3
InChIKeyFTAXTSFBLBRBGX-UHFFFAOYSA-N
XLogP2.51
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(2,4-difluorophenyl)-4-methyloxetan-2-yl]methyl]-1,2,4-triazole
CID 15008578
1-[[2-(2,4-difluorophenyl)oxan-2-yl]methyl]-1,2,4-triazole
CID 172701548
1-[[2-(2,4-difluorophenyl)-3-methyl-1,4-oxathian-2-yl]methyl]-1,2,4-triazole
CID 67813564
1-[[(2R)-2-(2,4-difluorophenyl)-4-methylideneoxolan-2-yl]methyl]-1,2,4-triazole
CID 102443432
1-[[(2R,3S,4R)-2-(2,4-difluorophenyl)-3,4-dimethyloxetan-2-yl]methyl]-1,2,4-triazole
CID 57226351
(4R,5S)-5-(2,4-difluorophenyl)-4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 10266430
1-[(2R,3R)-3-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-ylmethyl)oxiran-2-yl]-1,2,4-triazole
CID 11833631
(2R,3S)-2-(2,4-difluorophenyl)-3-methyl-2-(1,2,4-triazol-1-ylmethyl)-1,4-oxathiane 4,4-dioxide
CID 139662978
[(2R)-4-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-yl]methanol
CID 70972074
4-(2,4-difluorophenyl)-2-[4-(3-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
CID 155672468
1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole
CID 70517867
(2S)-2-(2,4-difluorophenyl)-2-methyloxirane
CID 123185465

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,4-difluorophenyl)-3,3-dimethyloxetan-2-yl]methyl]-1,2,4-triazole?
The IUPAC name of 1-[[2-(2,4-difluorophenyl)-3,3-dimethyloxetan-2-yl]methyl]-1,2,4-triazole (CID 15008590) is 1-[[2-(2,4-difluorophenyl)-3,3-dimethyloxetan-2-yl]methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[[2-(2,4-difluorophenyl)-3,3-dimethyloxetan-2-yl]methyl]-1,2,4-triazole?
The canonical SMILES for 1-[[2-(2,4-difluorophenyl)-3,3-dimethyloxetan-2-yl]methyl]-1,2,4-triazole is CC1(C)COC1(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of 1-[[2-(2,4-difluorophenyl)-3,3-dimethyloxetan-2-yl]methyl]-1,2,4-triazole?
The InChIKey is FTAXTSFBLBRBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-13(2)7-20-14(13,6-19-9-17-8-18-19)11-4-3-10(15)5-12(11)16/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 1-[[2-(2,4-difluorophenyl)-3,3-dimethyloxetan-2-yl]methyl]-1,2,4-triazole?
1-[[2-(2,4-difluorophenyl)-3,3-dimethyloxetan-2-yl]methyl]-1,2,4-triazole has a molecular weight of 279.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,4-difluorophenyl)-3,3-dimethyloxetan-2-yl]methyl]-1,2,4-triazole is sourced from PubChem (CID 15008590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).