propan-2-yl 2-chloro-5-fluorobenzoate

C10H10ClFO2 — CID 130658316

IUPACpropan-2-yl 2-chloro-5-fluorobenzoate
SMILESCC(C)OC(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C10H10ClFO2/c1-6(2)14-10(13)8-5-7(12)3-4-9(8)11/h3-6H,1-2H3
InChIKeyWPQBQMZLBPPGOH-UHFFFAOYSA-N
MW216.64 g/mol
LogP3.04
Rot. Bonds2

About propan-2-yl 2-chloro-5-fluorobenzoate

propan-2-yl 2-chloro-5-fluorobenzoate (PubChem CID 130658316) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is propan-2-yl 2-chloro-5-fluorobenzoate.

Molecular Properties

Compound Namepropan-2-yl 2-chloro-5-fluorobenzoate
PubChem CID130658316
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Namepropan-2-yl 2-chloro-5-fluorobenzoate
SMILESCC(C)OC(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C10H10ClFO2/c1-6(2)14-10(13)8-5-7(12)3-4-9(8)11/h3-6H,1-2H3
InChIKeyWPQBQMZLBPPGOH-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 2-amino-3-chloro-5-fluorobenzoate
CID 60837142
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
propan-2-yl 2-chloro-4-fluoro-5-methylbenzoate
CID 22955956
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
propan-2-yl 2-chloro-5-ethyl-4-fluorobenzoate
CID 143725945
propan-2-yl 2-chloro-5-fluoro-3-(trifluoromethyl)benzoate
CID 146035158
[(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 2570251
1-(2-chloro-5-fluorophenyl)-2-methoxy-2-methylpropan-1-one
CID 105394318
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 16529443
propan-2-yl 2,5-difluoropyridine-3-carboxylate
CID 133059569
2-chloro-5-fluoro-N-hydroxybenzamide
CID 130688031
propan-2-yl 2-chloro-4-(trifluoromethoxy)benzoate
CID 133054468

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-chloro-5-fluorobenzoate?
The IUPAC name of propan-2-yl 2-chloro-5-fluorobenzoate (CID 130658316) is propan-2-yl 2-chloro-5-fluorobenzoate.
What is the SMILES notation for propan-2-yl 2-chloro-5-fluorobenzoate?
The canonical SMILES for propan-2-yl 2-chloro-5-fluorobenzoate is CC(C)OC(=O)c1cc(F)ccc1Cl.
What is the InChIKey of propan-2-yl 2-chloro-5-fluorobenzoate?
The InChIKey is WPQBQMZLBPPGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-6(2)14-10(13)8-5-7(12)3-4-9(8)11/h3-6H,1-2H3.
What are the key properties of propan-2-yl 2-chloro-5-fluorobenzoate?
propan-2-yl 2-chloro-5-fluorobenzoate has a molecular weight of 216.64 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-chloro-5-fluorobenzoate is sourced from PubChem (CID 130658316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).