[4-(trifluoromethoxy)phenyl] (Z)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate

C17H11F5O3 — CID 23565882

IUPAC[4-(trifluoromethoxy)phenyl] (Z)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate
SMILESCc1ccc(/C(F)=C(/F)C(=O)Oc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H11F5O3/c1-10-2-4-11(5-3-10)14(18)15(19)16(23)24-12-6-8-13(9-7-12)25-17(20,21)22/h2-9H,1H3/b15-14-
InChIKeyRLTGYHHMPHIVLJ-PFONDFGASA-N
MW358.26 g/mol
LogP5.11
Rot. Bonds4

About [4-(trifluoromethoxy)phenyl] (Z)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate

[4-(trifluoromethoxy)phenyl] (Z)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate (PubChem CID 23565882) has the molecular formula C17H11F5O3 and a molecular weight of 358.26 g/mol. Its IUPAC name is [4-(trifluoromethoxy)phenyl] (Z)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Name[4-(trifluoromethoxy)phenyl] (Z)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate
PubChem CID23565882
Molecular FormulaC17H11F5O3
Molecular Weight358.26 g/mol
Exact Mass358.06
IUPAC Name[4-(trifluoromethoxy)phenyl] (Z)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate
SMILESCc1ccc(/C(F)=C(/F)C(=O)Oc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C17H11F5O3/c1-10-2-4-11(5-3-10)14(18)15(19)16(23)24-12-6-8-13(9-7-12)25-17(20,21)22/h2-9H,1H3/b15-14-
InChIKeyRLTGYHHMPHIVLJ-PFONDFGASA-N
XLogP5.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.26
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(trifluoromethoxy)phenyl] (E)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate
CID 59039923
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-(trifluoromethoxy)benzene
CID 59133252
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
(4-phenylphenyl) 4-(trifluoromethoxy)benzoate
CID 7926515
ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene
CID 144678762
CID 59303798
CID 59303798
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)phenyl] (Z)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate?
The IUPAC name of [4-(trifluoromethoxy)phenyl] (Z)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate (CID 23565882) is [4-(trifluoromethoxy)phenyl] (Z)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate.
What is the SMILES notation for [4-(trifluoromethoxy)phenyl] (Z)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate?
The canonical SMILES for [4-(trifluoromethoxy)phenyl] (Z)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate is Cc1ccc(/C(F)=C(/F)C(=O)Oc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of [4-(trifluoromethoxy)phenyl] (Z)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate?
The InChIKey is RLTGYHHMPHIVLJ-PFONDFGASA-N. The full InChI is InChI=1S/C17H11F5O3/c1-10-2-4-11(5-3-10)14(18)15(19)16(23)24-12-6-8-13(9-7-12)25-17(20,21)22/h2-9H,1H3/b15-14-.
What are the key properties of [4-(trifluoromethoxy)phenyl] (Z)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate?
[4-(trifluoromethoxy)phenyl] (Z)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate has a molecular weight of 358.26 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)phenyl] (Z)-2,3-difluoro-3-(4-methylphenyl)prop-2-enoate is sourced from PubChem (CID 23565882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).