2-fluoro-3-(4-methylphenyl)prop-2-enoic acid

C10H9FO2 — CID 54302276

IUPAC2-fluoro-3-(4-methylphenyl)prop-2-enoic acid
SMILESCc1ccc(C=C(F)C(=O)O)cc1
InChIInChI=1S/C10H9FO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-6H,1H3,(H,12,13)
InChIKeySFBMUHZJDDSYJX-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.39
Rot. Bonds2

About 2-fluoro-3-(4-methylphenyl)prop-2-enoic acid

2-fluoro-3-(4-methylphenyl)prop-2-enoic acid (PubChem CID 54302276) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-fluoro-3-(4-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-fluoro-3-(4-methylphenyl)prop-2-enoic acid
PubChem CID54302276
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name2-fluoro-3-(4-methylphenyl)prop-2-enoic acid
SMILESCc1ccc(C=C(F)C(=O)O)cc1
InChIInChI=1S/C10H9FO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-6H,1H3,(H,12,13)
InChIKeySFBMUHZJDDSYJX-UHFFFAOYSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.39
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

(Z)-2-fluoro-1,3-bis(4-methylphenyl)prop-2-en-1-one
CID 102132917
3-(4-ethylphenyl)-2-fluoroprop-2-enoic acid
CID 79726802
1-(2,2-difluoroethenyl)-4-methylbenzene
CID 6424286
(E)-3-(3-chloro-4-methylphenyl)-2-fluoroprop-2-enoic acid
CID 106817799
3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid
CID 79726253
(Z)-3-(4-chlorophenyl)-2-fluoro-1-(4-methylphenyl)prop-2-en-1-one
CID 102132918
(Z)-1-[4-(dimethylamino)phenyl]-2-fluoro-3-(4-methylphenyl)prop-2-en-1-one
CID 102204906
(Z)-2-fluoro-3-(2-methyl-4-pyridinyl)prop-2-enoic acid
CID 118346776
actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 59099672
2-fluoro-3-(4-methyl-3-nitrophenyl)prop-2-enoic acid
CID 79726472
(E)-2-fluoro-3-(2,4,6-trimethylphenyl)prop-2-enoic acid
CID 131609027
[(E)-1-fluoro-2-(4-methylphenyl)ethenyl] benzoate
CID 135004942

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(4-methylphenyl)prop-2-enoic acid?
The IUPAC name of 2-fluoro-3-(4-methylphenyl)prop-2-enoic acid (CID 54302276) is 2-fluoro-3-(4-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for 2-fluoro-3-(4-methylphenyl)prop-2-enoic acid?
The canonical SMILES for 2-fluoro-3-(4-methylphenyl)prop-2-enoic acid is Cc1ccc(C=C(F)C(=O)O)cc1.
What is the InChIKey of 2-fluoro-3-(4-methylphenyl)prop-2-enoic acid?
The InChIKey is SFBMUHZJDDSYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c1-7-2-4-8(5-3-7)6-9(11)10(12)13/h2-6H,1H3,(H,12,13).
What are the key properties of 2-fluoro-3-(4-methylphenyl)prop-2-enoic acid?
2-fluoro-3-(4-methylphenyl)prop-2-enoic acid has a molecular weight of 180.18 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(4-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 54302276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).