2-ethyl-3-[2-(2-fluoro-4,5-dipropoxyphenyl)ethyl]oxirane

C18H27FO3 — CID 83923264

IUPAC2-ethyl-3-[2-(2-fluoro-4,5-dipropoxyphenyl)ethyl]oxirane
SMILESCCCOc1cc(F)c(CCC2OC2CC)cc1OCCC
InChIInChI=1S/C18H27FO3/c1-4-9-20-17-11-13(7-8-16-15(6-3)22-16)14(19)12-18(17)21-10-5-2/h11-12,15-16H,4-10H2,1-3H3
InChIKeyPXJPZVXBMWDOBZ-UHFFFAOYSA-N
MW310.41 g/mol
LogP4.51
Rot. Bonds10

About 2-ethyl-3-[2-(2-fluoro-4,5-dipropoxyphenyl)ethyl]oxirane

2-ethyl-3-[2-(2-fluoro-4,5-dipropoxyphenyl)ethyl]oxirane (PubChem CID 83923264) has the molecular formula C18H27FO3 and a molecular weight of 310.41 g/mol. Its IUPAC name is 2-ethyl-3-[2-(2-fluoro-4,5-dipropoxyphenyl)ethyl]oxirane.

Molecular Properties

Compound Name2-ethyl-3-[2-(2-fluoro-4,5-dipropoxyphenyl)ethyl]oxirane
PubChem CID83923264
Molecular FormulaC18H27FO3
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC Name2-ethyl-3-[2-(2-fluoro-4,5-dipropoxyphenyl)ethyl]oxirane
SMILESCCCOc1cc(F)c(CCC2OC2CC)cc1OCCC
InChIInChI=1S/C18H27FO3/c1-4-9-20-17-11-13(7-8-16-15(6-3)22-16)14(19)12-18(17)21-10-5-2/h11-12,15-16H,4-10H2,1-3H3
InChIKeyPXJPZVXBMWDOBZ-UHFFFAOYSA-N
XLogP4.51
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluoro-4,5-dipropoxyphenyl)butanethioamide
CID 83923221
(2,5-difluoro-4-propoxyphenyl)methanol
CID 164890870
2-[1-(4,5-diethoxy-2-fluorophenyl)propan-2-yl]-3-ethyloxirane
CID 83923159
1-(4,5-diethoxy-2-fluorophenyl)heptane-3,4-diol
CID 83923176
2-butyl-3-[4-(2-fluorophenoxy)butyl]oxirane
CID 87497390
2-[2-(2-fluoro-4,5-dimethoxyphenyl)ethyl]oxirane
CID 83922764
1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine
CID 170890380
2,3,6,7,10,11-hexapropoxytriphenylene
CID 15531608
2-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-ethyloxirane
CID 83938400
2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane
CID 83942245
1-but-3-enyl-4,5-diethoxy-2-fluorobenzene
CID 83923126
2,3,6,7-tetrapropoxyanthracene
CID 102343273

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[2-(2-fluoro-4,5-dipropoxyphenyl)ethyl]oxirane?
The IUPAC name of 2-ethyl-3-[2-(2-fluoro-4,5-dipropoxyphenyl)ethyl]oxirane (CID 83923264) is 2-ethyl-3-[2-(2-fluoro-4,5-dipropoxyphenyl)ethyl]oxirane.
What is the SMILES notation for 2-ethyl-3-[2-(2-fluoro-4,5-dipropoxyphenyl)ethyl]oxirane?
The canonical SMILES for 2-ethyl-3-[2-(2-fluoro-4,5-dipropoxyphenyl)ethyl]oxirane is CCCOc1cc(F)c(CCC2OC2CC)cc1OCCC.
What is the InChIKey of 2-ethyl-3-[2-(2-fluoro-4,5-dipropoxyphenyl)ethyl]oxirane?
The InChIKey is PXJPZVXBMWDOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FO3/c1-4-9-20-17-11-13(7-8-16-15(6-3)22-16)14(19)12-18(17)21-10-5-2/h11-12,15-16H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-3-[2-(2-fluoro-4,5-dipropoxyphenyl)ethyl]oxirane?
2-ethyl-3-[2-(2-fluoro-4,5-dipropoxyphenyl)ethyl]oxirane has a molecular weight of 310.41 g/mol, XLogP of 4.51, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[2-(2-fluoro-4,5-dipropoxyphenyl)ethyl]oxirane is sourced from PubChem (CID 83923264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).