methyl 3-(4-chloro-2-fluorophenyl)propanoate

C10H10ClFO2 — CID 91755213

IUPACmethyl 3-(4-chloro-2-fluorophenyl)propanoate
SMILESCOC(=O)CCc1ccc(Cl)cc1F
InChIInChI=1S/C10H10ClFO2/c1-14-10(13)5-3-7-2-4-8(11)6-9(7)12/h2,4,6H,3,5H2,1H3
InChIKeyFTXDGLDHJOIACN-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.58
Rot. Bonds3

About methyl 3-(4-chloro-2-fluorophenyl)propanoate

methyl 3-(4-chloro-2-fluorophenyl)propanoate (PubChem CID 91755213) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is methyl 3-(4-chloro-2-fluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-chloro-2-fluorophenyl)propanoate
PubChem CID91755213
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Namemethyl 3-(4-chloro-2-fluorophenyl)propanoate
SMILESCOC(=O)CCc1ccc(Cl)cc1F
InChIInChI=1S/C10H10ClFO2/c1-14-10(13)5-3-7-2-4-8(11)6-9(7)12/h2,4,6H,3,5H2,1H3
InChIKeyFTXDGLDHJOIACN-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(4-chloro-2-fluorophenyl)-4-oxobutanoate
CID 114859571
methyl 2-[(4-chloro-2-fluorophenyl)methyl-ethylamino]acetate
CID 114857988
methyl 3-(2-bromo-4-fluorophenyl)propanoate
CID 12047938
1-(4-chloro-2-fluorophenyl)-4-methoxybutan-2-one
CID 114853710
methyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate
CID 134634678
methyl 3-(5-chloro-2-phenoxyphenyl)propanoate
CID 70289797
methyl 3-[(4-chloro-2-fluorophenyl)methylsulfanyl]butanoate
CID 114847721
methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate
CID 69115976
methyl 3-(4-chloro-2-fluorophenyl)butanoate
CID 171372756
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
methyl 3-(4-bromo-2-hydroxyphenyl)propanoate
CID 154733783
methyl 3-(2-cyclopropyl-4-fluoro-3-methoxyphenyl)propanoate
CID 140666165

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chloro-2-fluorophenyl)propanoate?
The IUPAC name of methyl 3-(4-chloro-2-fluorophenyl)propanoate (CID 91755213) is methyl 3-(4-chloro-2-fluorophenyl)propanoate.
What is the SMILES notation for methyl 3-(4-chloro-2-fluorophenyl)propanoate?
The canonical SMILES for methyl 3-(4-chloro-2-fluorophenyl)propanoate is COC(=O)CCc1ccc(Cl)cc1F.
What is the InChIKey of methyl 3-(4-chloro-2-fluorophenyl)propanoate?
The InChIKey is FTXDGLDHJOIACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-14-10(13)5-3-7-2-4-8(11)6-9(7)12/h2,4,6H,3,5H2,1H3.
What are the key properties of methyl 3-(4-chloro-2-fluorophenyl)propanoate?
methyl 3-(4-chloro-2-fluorophenyl)propanoate has a molecular weight of 216.64 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chloro-2-fluorophenyl)propanoate is sourced from PubChem (CID 91755213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).