(Z)-2-fluoro-3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid

C10H8F2O3 — CID 155664666

IUPAC(Z)-2-fluoro-3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(F)ccc1/C=C(\F)C(=O)O
InChIInChI=1S/C10H8F2O3/c1-15-9-5-7(11)3-2-6(9)4-8(12)10(13)14/h2-5H,1H3,(H,13,14)/b8-4-
InChIKeyRLHSBVIALGTLPW-YWEYNIOJSA-N
MW214.17 g/mol
LogP2.23
Rot. Bonds3

About (Z)-2-fluoro-3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid

(Z)-2-fluoro-3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid (PubChem CID 155664666) has the molecular formula C10H8F2O3 and a molecular weight of 214.17 g/mol. Its IUPAC name is (Z)-2-fluoro-3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-fluoro-3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid
PubChem CID155664666
Molecular FormulaC10H8F2O3
Molecular Weight214.17 g/mol
Exact Mass214.04
IUPAC Name(Z)-2-fluoro-3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(F)ccc1/C=C(\F)C(=O)O
InChIInChI=1S/C10H8F2O3/c1-15-9-5-7(11)3-2-6(9)4-8(12)10(13)14/h2-5H,1H3,(H,13,14)/b8-4-
InChIKeyRLHSBVIALGTLPW-YWEYNIOJSA-N
XLogP2.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
3-(4-fluoro-2-methoxyphenyl)prop-2-en-1-ol
CID 67414979
(E)-3-(2-chloro-6-methoxyphenyl)-2-fluoroprop-2-enoic acid
CID 104816692
(E)-2-fluoro-3-(4-methoxy-2,3,6-trimethylphenyl)prop-2-enoic acid
CID 20508469
(E)-4-(4-fluoro-2-methoxyanilino)but-2-enoic acid
CID 103245505
3-(4-ethoxy-3-methoxyphenyl)-2-fluoroprop-2-enoic acid
CID 79726801
5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460433
2-ethyl-4-(5-fluoro-2-methoxyphenyl)but-2-enoic acid
CID 67499894
2-[(4-fluoro-2-methoxyanilino)methyl]prop-2-enoic acid
CID 103245520
3-(3,5-difluorophenyl)-2-fluoroprop-2-enoic acid
CID 130173551
3-(4-fluoro-2-methoxyphenyl)-3-oxopropanal
CID 55262322

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-fluoro-3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid (CID 155664666) is (Z)-2-fluoro-3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-fluoro-3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-fluoro-3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid is COc1cc(F)ccc1/C=C(\F)C(=O)O.
What is the InChIKey of (Z)-2-fluoro-3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid?
The InChIKey is RLHSBVIALGTLPW-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H8F2O3/c1-15-9-5-7(11)3-2-6(9)4-8(12)10(13)14/h2-5H,1H3,(H,13,14)/b8-4-.
What are the key properties of (Z)-2-fluoro-3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid?
(Z)-2-fluoro-3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid has a molecular weight of 214.17 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-(4-fluoro-2-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 155664666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).