3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one

C12H12ClFO2 — CID 103456031

IUPAC3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
SMILESO=C(Cc1cccc(Cl)c1F)C(O)C1CC1
InChIInChI=1S/C12H12ClFO2/c13-9-3-1-2-8(11(9)14)6-10(15)12(16)7-4-5-7/h1-3,7,12,16H,4-6H2
InChIKeyMIJDJXATAXEMDO-UHFFFAOYSA-N
MW242.68 g/mol
LogP2.36
Rot. Bonds4

About 3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one

3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one (PubChem CID 103456031) has the molecular formula C12H12ClFO2 and a molecular weight of 242.68 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
PubChem CID103456031
Molecular FormulaC12H12ClFO2
Molecular Weight242.68 g/mol
Exact Mass242.05
IUPAC Name3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
SMILESO=C(Cc1cccc(Cl)c1F)C(O)C1CC1
InChIInChI=1S/C12H12ClFO2/c13-9-3-1-2-8(11(9)14)6-10(15)12(16)7-4-5-7/h1-3,7,12,16H,4-6H2
InChIKeyMIJDJXATAXEMDO-UHFFFAOYSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one (CID 103456031) is 3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one is O=C(Cc1cccc(Cl)c1F)C(O)C1CC1.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one?
The InChIKey is MIJDJXATAXEMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO2/c13-9-3-1-2-8(11(9)14)6-10(15)12(16)7-4-5-7/h1-3,7,12,16H,4-6H2.
What are the key properties of 3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one?
3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one has a molecular weight of 242.68 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one is sourced from PubChem (CID 103456031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).