ethyl (E)-3-[3,4-bis(2-fluoroethoxy)phenyl]prop-2-enoate

C15H18F2O4 — CID 134093301

IUPACethyl (E)-3-[3,4-bis(2-fluoroethoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(OCCF)c(OCCF)c1
InChIInChI=1S/C15H18F2O4/c1-2-19-15(18)6-4-12-3-5-13(20-9-7-16)14(11-12)21-10-8-17/h3-6,11H,2,7-10H2,1H3/b6-4+
InChIKeyQXAOLFTURIRARO-GQCTYLIASA-N
MW300.30 g/mol
LogP2.96
Rot. Bonds9

About ethyl (E)-3-[3,4-bis(2-fluoroethoxy)phenyl]prop-2-enoate

ethyl (E)-3-[3,4-bis(2-fluoroethoxy)phenyl]prop-2-enoate (PubChem CID 134093301) has the molecular formula C15H18F2O4 and a molecular weight of 300.30 g/mol. Its IUPAC name is ethyl (E)-3-[3,4-bis(2-fluoroethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[3,4-bis(2-fluoroethoxy)phenyl]prop-2-enoate
PubChem CID134093301
Molecular FormulaC15H18F2O4
Molecular Weight300.30 g/mol
Exact Mass300.12
IUPAC Nameethyl (E)-3-[3,4-bis(2-fluoroethoxy)phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(OCCF)c(OCCF)c1
InChIInChI=1S/C15H18F2O4/c1-2-19-15(18)6-4-12-3-5-13(20-9-7-16)14(11-12)21-10-8-17/h3-6,11H,2,7-10H2,1H3/b6-4+
InChIKeyQXAOLFTURIRARO-GQCTYLIASA-N
XLogP2.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 131846335
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 54167741
ethyl (E)-3-[4-(3-hydroxyhexoxy)-3-methoxyphenyl]prop-2-enoate
CID 11450118
ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]prop-2-enoate
CID 66907011
ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 92908749
ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate
CID 23242190
3-(3,4-diethoxyphenyl)prop-2-enamide
CID 75266278
pentyl (E)-3-(4-methoxy-3-pentoxyphenyl)prop-2-enoate
CID 19363451
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
(4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 732918
ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
CID 69299982

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[3,4-bis(2-fluoroethoxy)phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[3,4-bis(2-fluoroethoxy)phenyl]prop-2-enoate (CID 134093301) is ethyl (E)-3-[3,4-bis(2-fluoroethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[3,4-bis(2-fluoroethoxy)phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[3,4-bis(2-fluoroethoxy)phenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(OCCF)c(OCCF)c1.
What is the InChIKey of ethyl (E)-3-[3,4-bis(2-fluoroethoxy)phenyl]prop-2-enoate?
The InChIKey is QXAOLFTURIRARO-GQCTYLIASA-N. The full InChI is InChI=1S/C15H18F2O4/c1-2-19-15(18)6-4-12-3-5-13(20-9-7-16)14(11-12)21-10-8-17/h3-6,11H,2,7-10H2,1H3/b6-4+.
What are the key properties of ethyl (E)-3-[3,4-bis(2-fluoroethoxy)phenyl]prop-2-enoate?
ethyl (E)-3-[3,4-bis(2-fluoroethoxy)phenyl]prop-2-enoate has a molecular weight of 300.30 g/mol, XLogP of 2.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[3,4-bis(2-fluoroethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 134093301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).