(Z)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid

C10H8ClFO2 — CID 126623021

IUPAC(Z)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid
SMILESC/C(=C(/F)C(=O)O)c1ccccc1Cl
InChIInChI=1S/C10H8ClFO2/c1-6(9(12)10(13)14)7-4-2-3-5-8(7)11/h2-5H,1H3,(H,13,14)/b9-6-
InChIKeyWMUZXFJDHBGUTP-TWGQIWQCSA-N
MW214.62 g/mol
LogP3.13
Rot. Bonds2

About (Z)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid

(Z)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid (PubChem CID 126623021) has the molecular formula C10H8ClFO2 and a molecular weight of 214.62 g/mol. Its IUPAC name is (Z)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid
PubChem CID126623021
Molecular FormulaC10H8ClFO2
Molecular Weight214.62 g/mol
Exact Mass214.02
IUPAC Name(Z)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid
SMILESC/C(=C(/F)C(=O)O)c1ccccc1Cl
InChIInChI=1S/C10H8ClFO2/c1-6(9(12)10(13)14)7-4-2-3-5-8(7)11/h2-5H,1H3,(H,13,14)/b9-6-
InChIKeyWMUZXFJDHBGUTP-TWGQIWQCSA-N
XLogP3.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.62
LogP ≤ 53.13
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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Related Compounds

3-[2-(difluoromethoxy)phenyl]-2-fluorobut-2-enoic acid
CID 79728817
1-chloro-2-(3-methylbut-2-en-2-yl)benzene
CID 139836771
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
2-chlorobenzoic acid;terbium(3+);trichloride;hydrate
CID 174885949
1-chloro-2-fluorobenzene;propan-2-one
CID 174355607
2-(2-chlorophenyl)-2-diazoacetic acid
CID 164992467
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
2-chlorobenzenecarboperoxoic acid;hydrogen peroxide
CID 157104881
1-(2-chlorophenyl)-2-hydroxypropan-1-one
CID 11830112
2-chloro-1-(2-chlorophenyl)propan-1-one
CID 12808115
2-fluoro-3-(4-phenylmethoxyphenyl)but-2-enoic acid
CID 79736838
5-(2-chlorophenyl)hexa-3,4-dien-2-one
CID 102125928

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid?
The IUPAC name of (Z)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid (CID 126623021) is (Z)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid.
What is the SMILES notation for (Z)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid?
The canonical SMILES for (Z)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid is C/C(=C(/F)C(=O)O)c1ccccc1Cl.
What is the InChIKey of (Z)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid?
The InChIKey is WMUZXFJDHBGUTP-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H8ClFO2/c1-6(9(12)10(13)14)7-4-2-3-5-8(7)11/h2-5H,1H3,(H,13,14)/b9-6-.
What are the key properties of (Z)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid?
(Z)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid has a molecular weight of 214.62 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid is sourced from PubChem (CID 126623021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).