(Z)-2-fluoro-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid

C10H6F4O2 — CID 59997827

IUPAC(Z)-2-fluoro-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C(F)=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H6F4O2/c11-8(9(15)16)5-6-1-3-7(4-2-6)10(12,13)14/h1-5H,(H,15,16)/b8-5-
InChIKeySUESUUCDGVINCC-YVMONPNESA-N
MW234.15 g/mol
LogP3.10
Rot. Bonds2

About (Z)-2-fluoro-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid

(Z)-2-fluoro-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid (PubChem CID 59997827) has the molecular formula C10H6F4O2 and a molecular weight of 234.15 g/mol. Its IUPAC name is (Z)-2-fluoro-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-fluoro-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
PubChem CID59997827
Molecular FormulaC10H6F4O2
Molecular Weight234.15 g/mol
Exact Mass234.03
IUPAC Name(Z)-2-fluoro-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C(F)=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H6F4O2/c11-8(9(15)16)5-6-1-3-7(4-2-6)10(12,13)14/h1-5H,(H,15,16)/b8-5-
InChIKeySUESUUCDGVINCC-YVMONPNESA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-2-fluoro-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid (CID 59997827) is (Z)-2-fluoro-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-2-fluoro-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-2-fluoro-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid is O=C(O)/C(F)=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (Z)-2-fluoro-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid?
The InChIKey is SUESUUCDGVINCC-YVMONPNESA-N. The full InChI is InChI=1S/C10H6F4O2/c11-8(9(15)16)5-6-1-3-7(4-2-6)10(12,13)14/h1-5H,(H,15,16)/b8-5-.
What are the key properties of (Z)-2-fluoro-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid?
(Z)-2-fluoro-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid has a molecular weight of 234.15 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 59997827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).