(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate

C10H6F3O3- — CID 6930859

IUPAC(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
SMILESO=C([O-])/C=C/c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H7F3O3/c11-10(12,13)16-8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/p-1/b5-4+
InChIKeyCLKZZEYGXRWYNI-SNAWJCMRSA-M
MW231.15 g/mol
LogP1.35
Rot. Bonds3

About (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate

(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate (PubChem CID 6930859) has the molecular formula C10H6F3O3- and a molecular weight of 231.15 g/mol. Its IUPAC name is (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Name(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
PubChem CID6930859
Molecular FormulaC10H6F3O3-
Molecular Weight231.15 g/mol
Exact Mass231.03
IUPAC Name(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
SMILESO=C([O-])/C=C/c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H7F3O3/c11-10(12,13)16-8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/p-1/b5-4+
InChIKeyCLKZZEYGXRWYNI-SNAWJCMRSA-M
XLogP1.35
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 7567628
3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 69489696
ethyl 3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 54080322
2-[3-(trifluoromethoxy)phenyl]ethenamine
CID 141333954
1-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)benzene
CID 89117521
(E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 146008205
1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene
CID 18930258
3-(3-fluorophenyl)prop-2-enoate
CID 53448593
methane;3-(trifluoromethoxy)benzaldehyde
CID 143923091
3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 131874378
S-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl] ethanethioate
CID 170480677
formyl chloride;3-(trifluoromethoxy)benzaldehyde
CID 174520799

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate?
The IUPAC name of (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate (CID 6930859) is (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate.
What is the SMILES notation for (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate?
The canonical SMILES for (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate is O=C([O-])/C=C/c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate?
The InChIKey is CLKZZEYGXRWYNI-SNAWJCMRSA-M. The full InChI is InChI=1S/C10H7F3O3/c11-10(12,13)16-8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/p-1/b5-4+.
What are the key properties of (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate?
(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate has a molecular weight of 231.15 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 6930859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).