methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate

C10H8F2O2 — CID 53338930

IUPACmethyl (E)-3-(2,5-difluorophenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cc(F)ccc1F
InChIInChI=1S/C10H8F2O2/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6H,1H3/b5-2+
InChIKeyUWDJYEPPOANSLI-GORDUTHDSA-N
MW198.17 g/mol
LogP2.15
Rot. Bonds2

About methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate

methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate (PubChem CID 53338930) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(2,5-difluorophenyl)prop-2-enoate
PubChem CID53338930
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Namemethyl (E)-3-(2,5-difluorophenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cc(F)ccc1F
InChIInChI=1S/C10H8F2O2/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6H,1H3/b5-2+
InChIKeyUWDJYEPPOANSLI-GORDUTHDSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2,4,5-trifluorophenyl)prop-2-enoate
CID 131865158
methyl 3-[2-fluoro-5-(trifluoromethyl)phenyl]prop-2-enoate
CID 169479337
methyl (E)-3-(5-ethyl-2-fluorophenyl)prop-2-enoate
CID 89360118
(E)-3-[2-fluoro-5-(3-methoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoic acid
CID 169479604
2-[4-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)phenyl]acetic acid
CID 169479353
methyl 3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enoate
CID 169478976
methyl (E)-3-(2,3,4-trifluorophenyl)prop-2-enoate
CID 131886234
methyl 3-(2-cyano-4-fluorophenyl)prop-2-enoate
CID 54125963
methyl 3-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-enoate
CID 156757983
methyl (E)-3-(4-bromo-2-fluorophenyl)prop-2-enoate
CID 18989439
methyl (E)-3-(2,4,6-trifluorophenyl)prop-2-enoate
CID 102052525
(E)-3-(2,5-difluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 52643172

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate (CID 53338930) is methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate is COC(=O)/C=C/c1cc(F)ccc1F.
What is the InChIKey of methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate?
The InChIKey is UWDJYEPPOANSLI-GORDUTHDSA-N. The full InChI is InChI=1S/C10H8F2O2/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6H,1H3/b5-2+.
What are the key properties of methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate?
methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate has a molecular weight of 198.17 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate is sourced from PubChem (CID 53338930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).