propyl 2,5-difluorobenzoate

C10H10F2O2 — CID 43416946

IUPACpropyl 2,5-difluorobenzoate
SMILESCCCOC(=O)c1cc(F)ccc1F
InChIInChI=1S/C10H10F2O2/c1-2-5-14-10(13)8-6-7(11)3-4-9(8)12/h3-4,6H,2,5H2,1H3
InChIKeyHUYIYCPUGLMWHU-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.53
Rot. Bonds3

About propyl 2,5-difluorobenzoate

propyl 2,5-difluorobenzoate (PubChem CID 43416946) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is propyl 2,5-difluorobenzoate.

Molecular Properties

Compound Namepropyl 2,5-difluorobenzoate
PubChem CID43416946
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Namepropyl 2,5-difluorobenzoate
SMILESCCCOC(=O)c1cc(F)ccc1F
InChIInChI=1S/C10H10F2O2/c1-2-5-14-10(13)8-6-7(11)3-4-9(8)12/h3-4,6H,2,5H2,1H3
InChIKeyHUYIYCPUGLMWHU-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

heptadecyl 2,5-difluorobenzoate
CID 91723296
5-(2,5-difluorobenzoyl)oxypentyl 2,5-difluorobenzoate
CID 91716914
propyl 5-fluoro-2-methoxybenzoate
CID 78846828
4-methylpentyl 2,5-difluorobenzoate
CID 91716954
propyl 2-fluoro-5-sulfamoylbenzoate
CID 35544265
2,2-dimethylpropyl 2,5-difluorobenzoate
CID 91716897
2-methylpropyl 2,5-difluorobenzoate
CID 74788614
dibutyl 4-fluorobenzene-1,2-dicarboxylate
CID 23502472
2-(4-aminophenoxy)ethyl 2,5-difluorobenzoate
CID 84816964
propyl 2,3,4,5-tetrafluorobenzoate
CID 78968858
butyl 2-bromo-5-fluorobenzoate
CID 112724264
heptyl 5-chloro-2-fluorobenzoate
CID 63840188

Frequently Asked Questions

What is the IUPAC name of propyl 2,5-difluorobenzoate?
The IUPAC name of propyl 2,5-difluorobenzoate (CID 43416946) is propyl 2,5-difluorobenzoate.
What is the SMILES notation for propyl 2,5-difluorobenzoate?
The canonical SMILES for propyl 2,5-difluorobenzoate is CCCOC(=O)c1cc(F)ccc1F.
What is the InChIKey of propyl 2,5-difluorobenzoate?
The InChIKey is HUYIYCPUGLMWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-2-5-14-10(13)8-6-7(11)3-4-9(8)12/h3-4,6H,2,5H2,1H3.
What are the key properties of propyl 2,5-difluorobenzoate?
propyl 2,5-difluorobenzoate has a molecular weight of 200.18 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2,5-difluorobenzoate is sourced from PubChem (CID 43416946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).