(E)-4-(2,6-difluorophenyl)pent-3-enoic acid

C11H10F2O2 — CID 83950262

IUPAC(E)-4-(2,6-difluorophenyl)pent-3-enoic acid
SMILESC/C(=C\CC(=O)O)c1c(F)cccc1F
InChIInChI=1S/C11H10F2O2/c1-7(5-6-10(14)15)11-8(12)3-2-4-9(11)13/h2-5H,6H2,1H3,(H,14,15)/b7-5+
InChIKeyVMOXCFPXJKFQMD-FNORWQNLSA-N
MW212.19 g/mol
LogP2.84
Rot. Bonds3

About (E)-4-(2,6-difluorophenyl)pent-3-enoic acid

(E)-4-(2,6-difluorophenyl)pent-3-enoic acid (PubChem CID 83950262) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is (E)-4-(2,6-difluorophenyl)pent-3-enoic acid.

Molecular Properties

Compound Name(E)-4-(2,6-difluorophenyl)pent-3-enoic acid
PubChem CID83950262
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name(E)-4-(2,6-difluorophenyl)pent-3-enoic acid
SMILESC/C(=C\CC(=O)O)c1c(F)cccc1F
InChIInChI=1S/C11H10F2O2/c1-7(5-6-10(14)15)11-8(12)3-2-4-9(11)13/h2-5H,6H2,1H3,(H,14,15)/b7-5+
InChIKeyVMOXCFPXJKFQMD-FNORWQNLSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-(3-chlorophenyl)pent-3-enoic acid
CID 83950160
2-(3-carboxyprop-1-enyl)-6-fluorobenzoic acid
CID 170483799
2-(2,6-difluorophenyl)but-2-enoic acid
CID 90368783
1-(2,6-difluorophenyl)butane-1,3-dione
CID 43089596
2-[(2,6-difluorobenzoyl)-propylamino]acetic acid
CID 61011405
2,3-difluoro-N-(3-methylbut-2-enyl)benzamide
CID 103528227
(E)-4-(5-methylthiophen-2-yl)pent-3-enoic acid
CID 83957677
4-(4-methoxyphenyl)pent-3-enoic acid
CID 57142531
2-fluoro-6-methylbenzoic acid
CID 13478132
1-(2,6-difluorophenyl)-3-methylbut-3-en-1-one
CID 79522478
2,6-difluoro-N-methyl-N-phenylbenzamide
CID 4694325
2-(2-acetyl-6-fluorophenyl)acetic acid
CID 121231894

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,6-difluorophenyl)pent-3-enoic acid?
The IUPAC name of (E)-4-(2,6-difluorophenyl)pent-3-enoic acid (CID 83950262) is (E)-4-(2,6-difluorophenyl)pent-3-enoic acid.
What is the SMILES notation for (E)-4-(2,6-difluorophenyl)pent-3-enoic acid?
The canonical SMILES for (E)-4-(2,6-difluorophenyl)pent-3-enoic acid is C/C(=C\CC(=O)O)c1c(F)cccc1F.
What is the InChIKey of (E)-4-(2,6-difluorophenyl)pent-3-enoic acid?
The InChIKey is VMOXCFPXJKFQMD-FNORWQNLSA-N. The full InChI is InChI=1S/C11H10F2O2/c1-7(5-6-10(14)15)11-8(12)3-2-4-9(11)13/h2-5H,6H2,1H3,(H,14,15)/b7-5+.
What are the key properties of (E)-4-(2,6-difluorophenyl)pent-3-enoic acid?
(E)-4-(2,6-difluorophenyl)pent-3-enoic acid has a molecular weight of 212.19 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,6-difluorophenyl)pent-3-enoic acid is sourced from PubChem (CID 83950262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).