(Z)-2-fluoro-4-methylpent-2-enal

C6H9FO — CID 14617846

IUPAC(Z)-2-fluoro-4-methylpent-2-enal
SMILESCC(C)/C=C(\F)C=O
InChIInChI=1S/C6H9FO/c1-5(2)3-6(7)4-8/h3-5H,1-2H3/b6-3-
InChIKeyDADATXPZSKXGDG-UTCJRWHESA-N
MW116.13 g/mol
LogP1.69
Rot. Bonds2

About (Z)-2-fluoro-4-methylpent-2-enal

(Z)-2-fluoro-4-methylpent-2-enal (PubChem CID 14617846) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is (Z)-2-fluoro-4-methylpent-2-enal.

Molecular Properties

Compound Name(Z)-2-fluoro-4-methylpent-2-enal
PubChem CID14617846
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name(Z)-2-fluoro-4-methylpent-2-enal
SMILESCC(C)/C=C(\F)C=O
InChIInChI=1S/C6H9FO/c1-5(2)3-6(7)4-8/h3-5H,1-2H3/b6-3-
InChIKeyDADATXPZSKXGDG-UTCJRWHESA-N
XLogP1.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-4-methylpent-2-enal?
The IUPAC name of (Z)-2-fluoro-4-methylpent-2-enal (CID 14617846) is (Z)-2-fluoro-4-methylpent-2-enal.
What is the SMILES notation for (Z)-2-fluoro-4-methylpent-2-enal?
The canonical SMILES for (Z)-2-fluoro-4-methylpent-2-enal is CC(C)/C=C(\F)C=O.
What is the InChIKey of (Z)-2-fluoro-4-methylpent-2-enal?
The InChIKey is DADATXPZSKXGDG-UTCJRWHESA-N. The full InChI is InChI=1S/C6H9FO/c1-5(2)3-6(7)4-8/h3-5H,1-2H3/b6-3-.
What are the key properties of (Z)-2-fluoro-4-methylpent-2-enal?
(Z)-2-fluoro-4-methylpent-2-enal has a molecular weight of 116.13 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-4-methylpent-2-enal is sourced from PubChem (CID 14617846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).