oxolan-3-ylmethyl 2,3-difluorobenzoate

C12H12F2O3 — CID 62865708

IUPACoxolan-3-ylmethyl 2,3-difluorobenzoate
SMILESO=C(OCC1CCOC1)c1cccc(F)c1F
InChIInChI=1S/C12H12F2O3/c13-10-3-1-2-9(11(10)14)12(15)17-7-8-4-5-16-6-8/h1-3,8H,4-7H2
InChIKeyKMPRQWGKYHWMEF-UHFFFAOYSA-N
MW242.22 g/mol
LogP2.16
Rot. Bonds3

About oxolan-3-ylmethyl 2,3-difluorobenzoate

oxolan-3-ylmethyl 2,3-difluorobenzoate (PubChem CID 62865708) has the molecular formula C12H12F2O3 and a molecular weight of 242.22 g/mol. Its IUPAC name is oxolan-3-ylmethyl 2,3-difluorobenzoate.

Molecular Properties

Compound Nameoxolan-3-ylmethyl 2,3-difluorobenzoate
PubChem CID62865708
Molecular FormulaC12H12F2O3
Molecular Weight242.22 g/mol
Exact Mass242.08
IUPAC Nameoxolan-3-ylmethyl 2,3-difluorobenzoate
SMILESO=C(OCC1CCOC1)c1cccc(F)c1F
InChIInChI=1S/C12H12F2O3/c13-10-3-1-2-9(11(10)14)12(15)17-7-8-4-5-16-6-8/h1-3,8H,4-7H2
InChIKeyKMPRQWGKYHWMEF-UHFFFAOYSA-N
XLogP2.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxolan-3-ylmethyl 5-amino-2,4-difluorobenzoate
CID 61316191
oxolan-3-ylmethyl 2,5-difluoro-4-nitrobenzoate
CID 104700556
oxolan-3-ylmethyl 2,5-difluoro-3-nitrobenzoate
CID 107123614
1-(2,3-difluorophenyl)-3-(oxolan-3-yl)propan-2-one
CID 103986174
3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide
CID 62824048
oxolan-3-ylmethyl 2-bromo-5-chlorosulfonyl-4-fluorobenzoate
CID 65373752
ethyl 2,3-difluorobenzoate
CID 2761174
oxolan-3-ylmethyl 2-chloroquinoline-4-carboxylate
CID 61237122
oxolan-3-ylmethyl 2-bromo-5-sulfamoylbenzoate
CID 61237488
oxolan-3-ylmethyl 6-amino-1,3-benzodioxole-5-carboxylate
CID 103543566
[(3S)-oxolan-3-yl]methyl 1-(3-chloro-2-fluorophenyl)triazole-4-carboxylate
CID 99781157
3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526

Frequently Asked Questions

What is the IUPAC name of oxolan-3-ylmethyl 2,3-difluorobenzoate?
The IUPAC name of oxolan-3-ylmethyl 2,3-difluorobenzoate (CID 62865708) is oxolan-3-ylmethyl 2,3-difluorobenzoate.
What is the SMILES notation for oxolan-3-ylmethyl 2,3-difluorobenzoate?
The canonical SMILES for oxolan-3-ylmethyl 2,3-difluorobenzoate is O=C(OCC1CCOC1)c1cccc(F)c1F.
What is the InChIKey of oxolan-3-ylmethyl 2,3-difluorobenzoate?
The InChIKey is KMPRQWGKYHWMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O3/c13-10-3-1-2-9(11(10)14)12(15)17-7-8-4-5-16-6-8/h1-3,8H,4-7H2.
What are the key properties of oxolan-3-ylmethyl 2,3-difluorobenzoate?
oxolan-3-ylmethyl 2,3-difluorobenzoate has a molecular weight of 242.22 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-ylmethyl 2,3-difluorobenzoate is sourced from PubChem (CID 62865708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).