2-(2-fluoro-4-pent-3-enylphenyl)-4,4-dimethyl-1,3-oxazolidine

C16H22FNO — CID 74053003

IUPAC2-(2-fluoro-4-pent-3-enylphenyl)-4,4-dimethyl-1,3-oxazolidine
SMILESCC=CCCc1ccc(C2NC(C)(C)CO2)c(F)c1
InChIInChI=1S/C16H22FNO/c1-4-5-6-7-12-8-9-13(14(17)10-12)15-18-16(2,3)11-19-15/h4-5,8-10,15,18H,6-7,11H2,1-3H3
InChIKeyZAANVAOJSCJFAF-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.73
Rot. Bonds4

About 2-(2-fluoro-4-pent-3-enylphenyl)-4,4-dimethyl-1,3-oxazolidine

2-(2-fluoro-4-pent-3-enylphenyl)-4,4-dimethyl-1,3-oxazolidine (PubChem CID 74053003) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(2-fluoro-4-pent-3-enylphenyl)-4,4-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-(2-fluoro-4-pent-3-enylphenyl)-4,4-dimethyl-1,3-oxazolidine
PubChem CID74053003
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name2-(2-fluoro-4-pent-3-enylphenyl)-4,4-dimethyl-1,3-oxazolidine
SMILESCC=CCCc1ccc(C2NC(C)(C)CO2)c(F)c1
InChIInChI=1S/C16H22FNO/c1-4-5-6-7-12-8-9-13(14(17)10-12)15-18-16(2,3)11-19-15/h4-5,8-10,15,18H,6-7,11H2,1-3H3
InChIKeyZAANVAOJSCJFAF-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-pent-3-enylphenyl)-4,4-dimethyl-1,3-oxazolidine?
The IUPAC name of 2-(2-fluoro-4-pent-3-enylphenyl)-4,4-dimethyl-1,3-oxazolidine (CID 74053003) is 2-(2-fluoro-4-pent-3-enylphenyl)-4,4-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-(2-fluoro-4-pent-3-enylphenyl)-4,4-dimethyl-1,3-oxazolidine?
The canonical SMILES for 2-(2-fluoro-4-pent-3-enylphenyl)-4,4-dimethyl-1,3-oxazolidine is CC=CCCc1ccc(C2NC(C)(C)CO2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-pent-3-enylphenyl)-4,4-dimethyl-1,3-oxazolidine?
The InChIKey is ZAANVAOJSCJFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-4-5-6-7-12-8-9-13(14(17)10-12)15-18-16(2,3)11-19-15/h4-5,8-10,15,18H,6-7,11H2,1-3H3.
What are the key properties of 2-(2-fluoro-4-pent-3-enylphenyl)-4,4-dimethyl-1,3-oxazolidine?
2-(2-fluoro-4-pent-3-enylphenyl)-4,4-dimethyl-1,3-oxazolidine has a molecular weight of 263.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-pent-3-enylphenyl)-4,4-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 74053003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).