methyl (Z)-3-(2,3-difluorophenyl)-3-hydroxyprop-2-enoate

C10H8F2O3 — CID 82017652

IUPACmethyl (Z)-3-(2,3-difluorophenyl)-3-hydroxyprop-2-enoate
SMILESCOC(=O)/C=C(\O)c1cccc(F)c1F
InChIInChI=1S/C10H8F2O3/c1-15-9(14)5-8(13)6-3-2-4-7(11)10(6)12/h2-5,13H,1H3/b8-5-
InChIKeyFCNPTYUPVIFJNW-YVMONPNESA-N
MW214.17 g/mol
LogP2.04
Rot. Bonds2

About methyl (Z)-3-(2,3-difluorophenyl)-3-hydroxyprop-2-enoate

methyl (Z)-3-(2,3-difluorophenyl)-3-hydroxyprop-2-enoate (PubChem CID 82017652) has the molecular formula C10H8F2O3 and a molecular weight of 214.17 g/mol. Its IUPAC name is methyl (Z)-3-(2,3-difluorophenyl)-3-hydroxyprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(2,3-difluorophenyl)-3-hydroxyprop-2-enoate
PubChem CID82017652
Molecular FormulaC10H8F2O3
Molecular Weight214.17 g/mol
Exact Mass214.04
IUPAC Namemethyl (Z)-3-(2,3-difluorophenyl)-3-hydroxyprop-2-enoate
SMILESCOC(=O)/C=C(\O)c1cccc(F)c1F
InChIInChI=1S/C10H8F2O3/c1-15-9(14)5-8(13)6-3-2-4-7(11)10(6)12/h2-5,13H,1H3/b8-5-
InChIKeyFCNPTYUPVIFJNW-YVMONPNESA-N
XLogP2.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-3-hydroxy-3-(2,4,5-trifluorophenyl)prop-2-enoate
CID 164845102
methyl 3-hydroxy-3-(2,4,5-trifluorophenyl)prop-2-enoate
CID 167667033
methyl (Z)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoate
CID 82017646
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
(Z)-3-(2,3-difluorophenyl)pent-2-enoic acid
CID 67458775
methyl 3-[(3-fluoro-2-phenylmethoxybenzoyl)amino]but-2-enoate
CID 76598642
acetyl 2,3-difluorobenzoate
CID 150014142
2,3-difluoro-N-(3-methylbut-2-enyl)benzamide
CID 103528227
2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 62661170
2-fluoro-3-(3-methoxy-3-oxoprop-1-enyl)benzoic acid
CID 169479163
2,3-difluorobenzoyl bromide
CID 91168195

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(2,3-difluorophenyl)-3-hydroxyprop-2-enoate?
The IUPAC name of methyl (Z)-3-(2,3-difluorophenyl)-3-hydroxyprop-2-enoate (CID 82017652) is methyl (Z)-3-(2,3-difluorophenyl)-3-hydroxyprop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(2,3-difluorophenyl)-3-hydroxyprop-2-enoate?
The canonical SMILES for methyl (Z)-3-(2,3-difluorophenyl)-3-hydroxyprop-2-enoate is COC(=O)/C=C(\O)c1cccc(F)c1F.
What is the InChIKey of methyl (Z)-3-(2,3-difluorophenyl)-3-hydroxyprop-2-enoate?
The InChIKey is FCNPTYUPVIFJNW-YVMONPNESA-N. The full InChI is InChI=1S/C10H8F2O3/c1-15-9(14)5-8(13)6-3-2-4-7(11)10(6)12/h2-5,13H,1H3/b8-5-.
What are the key properties of methyl (Z)-3-(2,3-difluorophenyl)-3-hydroxyprop-2-enoate?
methyl (Z)-3-(2,3-difluorophenyl)-3-hydroxyprop-2-enoate has a molecular weight of 214.17 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(2,3-difluorophenyl)-3-hydroxyprop-2-enoate is sourced from PubChem (CID 82017652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).