methyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate

C10H6F4O2 — CID 75578261

IUPACmethyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H6F4O2/c1-16-8(15)3-2-5-9(13)6(11)4-7(12)10(5)14/h2-4H,1H3
InChIKeyVZXKUHXNAVXOBT-UHFFFAOYSA-N
MW234.15 g/mol
LogP2.43
Rot. Bonds2

About methyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate

methyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate (PubChem CID 75578261) has the molecular formula C10H6F4O2 and a molecular weight of 234.15 g/mol. Its IUPAC name is methyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate
PubChem CID75578261
Molecular FormulaC10H6F4O2
Molecular Weight234.15 g/mol
Exact Mass234.03
IUPAC Namemethyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H6F4O2/c1-16-8(15)3-2-5-9(13)6(11)4-7(12)10(5)14/h2-4H,1H3
InChIKeyVZXKUHXNAVXOBT-UHFFFAOYSA-N
XLogP2.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate
CID 50905551
methyl (E)-3-(2,4,6-trifluorophenyl)prop-2-enoate
CID 102052525
ethyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate
CID 169480514
methyl 3-(2,4,5-trifluorophenyl)prop-2-enoate
CID 131865158
methyl 3-(4-chloro-2,6-difluorophenyl)prop-2-enoate
CID 169479857
methyl 3-(4-chloro-3,5-difluorophenyl)prop-2-enoate
CID 169478853
methyl (E)-3-(2,5-difluorophenyl)prop-2-enoate
CID 53338930
methyl (E)-3-(2,3,4-trifluorophenyl)prop-2-enoate
CID 131886234
methyl (E)-3-(2-amino-6-fluorophenyl)prop-2-enoate
CID 69423141
methyl (E)-3-(2-bromo-6-fluorophenyl)prop-2-enoate
CID 131239793
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
methyl 3-(2-bromo-6-fluoro-3-methylphenyl)prop-2-enoate
CID 169479862

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate?
The IUPAC name of methyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate (CID 75578261) is methyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate.
What is the SMILES notation for methyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate?
The canonical SMILES for methyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate is COC(=O)C=Cc1c(F)c(F)cc(F)c1F.
What is the InChIKey of methyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate?
The InChIKey is VZXKUHXNAVXOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4O2/c1-16-8(15)3-2-5-9(13)6(11)4-7(12)10(5)14/h2-4H,1H3.
What are the key properties of methyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate?
methyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate has a molecular weight of 234.15 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3,5,6-tetrafluorophenyl)prop-2-enoate is sourced from PubChem (CID 75578261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).