(2E,4E)-4-(fluoromethyl)-2-prop-1-en-2-ylhexa-2,4-dienoic acid

C10H13FO2 — CID 144869305

IUPAC(2E,4E)-4-(fluoromethyl)-2-prop-1-en-2-ylhexa-2,4-dienoic acid
SMILESC=C(C)/C(=C\C(=C/C)CF)C(=O)O
InChIInChI=1S/C10H13FO2/c1-4-8(6-11)5-9(7(2)3)10(12)13/h4-5H,2,6H2,1,3H3,(H,12,13)/b8-4+,9-5+
InChIKeyLVCGEUBTGFAZIF-KBXRYBNXSA-N
MW184.21 g/mol
LogP2.49
Rot. Bonds4

About (2E,4E)-4-(fluoromethyl)-2-prop-1-en-2-ylhexa-2,4-dienoic acid

(2E,4E)-4-(fluoromethyl)-2-prop-1-en-2-ylhexa-2,4-dienoic acid (PubChem CID 144869305) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is (2E,4E)-4-(fluoromethyl)-2-prop-1-en-2-ylhexa-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-4-(fluoromethyl)-2-prop-1-en-2-ylhexa-2,4-dienoic acid
PubChem CID144869305
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name(2E,4E)-4-(fluoromethyl)-2-prop-1-en-2-ylhexa-2,4-dienoic acid
SMILESC=C(C)/C(=C\C(=C/C)CF)C(=O)O
InChIInChI=1S/C10H13FO2/c1-4-8(6-11)5-9(7(2)3)10(12)13/h4-5H,2,6H2,1,3H3,(H,12,13)/b8-4+,9-5+
InChIKeyLVCGEUBTGFAZIF-KBXRYBNXSA-N
XLogP2.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-prop-1-en-2-ylbut-2-enoic acid
CID 89227365
copper;bis(2-fluoroacetate);bis(2-methylprop-2-enoic acid)
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2-(2-methylprop-2-enylidene)propanedioic acid
CID 87996037
2-methylprop-2-enoic acid;tris(prop-1-ene)
CID 160578185
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)
CID 174760131
N-methylmethanamine;bis(2-methylprop-2-enoic acid)
CID 175091080
2-(fluoromethyl)but-2-enoic acid
CID 57012215
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-(fluoromethyl)-2-prop-1-en-2-ylhexa-2,4-dienoic acid?
The IUPAC name of (2E,4E)-4-(fluoromethyl)-2-prop-1-en-2-ylhexa-2,4-dienoic acid (CID 144869305) is (2E,4E)-4-(fluoromethyl)-2-prop-1-en-2-ylhexa-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-4-(fluoromethyl)-2-prop-1-en-2-ylhexa-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-4-(fluoromethyl)-2-prop-1-en-2-ylhexa-2,4-dienoic acid is C=C(C)/C(=C\C(=C/C)CF)C(=O)O.
What is the InChIKey of (2E,4E)-4-(fluoromethyl)-2-prop-1-en-2-ylhexa-2,4-dienoic acid?
The InChIKey is LVCGEUBTGFAZIF-KBXRYBNXSA-N. The full InChI is InChI=1S/C10H13FO2/c1-4-8(6-11)5-9(7(2)3)10(12)13/h4-5H,2,6H2,1,3H3,(H,12,13)/b8-4+,9-5+.
What are the key properties of (2E,4E)-4-(fluoromethyl)-2-prop-1-en-2-ylhexa-2,4-dienoic acid?
(2E,4E)-4-(fluoromethyl)-2-prop-1-en-2-ylhexa-2,4-dienoic acid has a molecular weight of 184.21 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-(fluoromethyl)-2-prop-1-en-2-ylhexa-2,4-dienoic acid is sourced from PubChem (CID 144869305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).