2-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,2-oxazolidine

C14H18FNO2 — CID 45234014

IUPAC2-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,2-oxazolidine
SMILESFc1cccc(C2(CN3CCCO3)CCOC2)c1
InChIInChI=1S/C14H18FNO2/c15-13-4-1-3-12(9-13)14(5-8-17-11-14)10-16-6-2-7-18-16/h1,3-4,9H,2,5-8,10-11H2
InChIKeyHBGFFCTVOXVKSZ-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.12
Rot. Bonds3

About 2-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,2-oxazolidine

2-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,2-oxazolidine (PubChem CID 45234014) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,2-oxazolidine.

Molecular Properties

Compound Name2-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,2-oxazolidine
PubChem CID45234014
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,2-oxazolidine
SMILESFc1cccc(C2(CN3CCCO3)CCOC2)c1
InChIInChI=1S/C14H18FNO2/c15-13-4-1-3-12(9-13)14(5-8-17-11-14)10-16-6-2-7-18-16/h1,3-4,9H,2,5-8,10-11H2
InChIKeyHBGFFCTVOXVKSZ-UHFFFAOYSA-N
XLogP2.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,2-oxazolidine?
The IUPAC name of 2-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,2-oxazolidine (CID 45234014) is 2-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,2-oxazolidine.
What is the SMILES notation for 2-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,2-oxazolidine?
The canonical SMILES for 2-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,2-oxazolidine is Fc1cccc(C2(CN3CCCO3)CCOC2)c1.
What is the InChIKey of 2-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,2-oxazolidine?
The InChIKey is HBGFFCTVOXVKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-4-1-3-12(9-13)14(5-8-17-11-14)10-16-6-2-7-18-16/h1,3-4,9H,2,5-8,10-11H2.
What are the key properties of 2-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,2-oxazolidine?
2-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,2-oxazolidine has a molecular weight of 251.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1,2-oxazolidine is sourced from PubChem (CID 45234014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).