2-butyl-3-[4-(2-fluorophenoxy)butyl]oxirane

C16H23FO2 — CID 87497390

IUPAC2-butyl-3-[4-(2-fluorophenoxy)butyl]oxirane
SMILESCCCCC1OC1CCCCOc1ccccc1F
InChIInChI=1S/C16H23FO2/c1-2-3-9-15-16(19-15)11-6-7-12-18-14-10-5-4-8-13(14)17/h4-5,8,10,15-16H,2-3,6-7,9,11-12H2,1H3
InChIKeyUTQXXSCSBDOHOR-UHFFFAOYSA-N
MW266.36 g/mol
LogP4.33
Rot. Bonds9

About 2-butyl-3-[4-(2-fluorophenoxy)butyl]oxirane

2-butyl-3-[4-(2-fluorophenoxy)butyl]oxirane (PubChem CID 87497390) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-butyl-3-[4-(2-fluorophenoxy)butyl]oxirane.

Molecular Properties

Compound Name2-butyl-3-[4-(2-fluorophenoxy)butyl]oxirane
PubChem CID87497390
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name2-butyl-3-[4-(2-fluorophenoxy)butyl]oxirane
SMILESCCCCC1OC1CCCCOc1ccccc1F
InChIInChI=1S/C16H23FO2/c1-2-3-9-15-16(19-15)11-6-7-12-18-14-10-5-4-8-13(14)17/h4-5,8,10,15-16H,2-3,6-7,9,11-12H2,1H3
InChIKeyUTQXXSCSBDOHOR-UHFFFAOYSA-N
XLogP4.33
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl-[6-(2-fluorophenoxy)hexyl]azanium
CID 2251024
N-[3-(2-fluorophenoxy)propyl]butan-1-amine
CID 2251064
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CID 91224434
N-[2-(2-fluorophenoxy)ethyl]butan-1-amine
CID 2262293
4-(2-fluorophenoxy)-N-propylbutan-1-amine
CID 62452469
N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine
CID 78791127
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
1-dodecoxy-2,3-difluorobenzene
CID 15854521
5-(2-fluorophenoxy)-N-methylpentan-1-amine
CID 62453005
N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 28879092
3-(2-fluorophenoxy)propane-1-thiol
CID 79001947
1-fluoro-2-(4-phenylbutoxy)benzene
CID 91171700

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[4-(2-fluorophenoxy)butyl]oxirane?
The IUPAC name of 2-butyl-3-[4-(2-fluorophenoxy)butyl]oxirane (CID 87497390) is 2-butyl-3-[4-(2-fluorophenoxy)butyl]oxirane.
What is the SMILES notation for 2-butyl-3-[4-(2-fluorophenoxy)butyl]oxirane?
The canonical SMILES for 2-butyl-3-[4-(2-fluorophenoxy)butyl]oxirane is CCCCC1OC1CCCCOc1ccccc1F.
What is the InChIKey of 2-butyl-3-[4-(2-fluorophenoxy)butyl]oxirane?
The InChIKey is UTQXXSCSBDOHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-2-3-9-15-16(19-15)11-6-7-12-18-14-10-5-4-8-13(14)17/h4-5,8,10,15-16H,2-3,6-7,9,11-12H2,1H3.
What are the key properties of 2-butyl-3-[4-(2-fluorophenoxy)butyl]oxirane?
2-butyl-3-[4-(2-fluorophenoxy)butyl]oxirane has a molecular weight of 266.36 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[4-(2-fluorophenoxy)butyl]oxirane is sourced from PubChem (CID 87497390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).