(Z)-4-bromo-3-fluoro-2-methylidenepent-3-enal

C6H6BrFO — CID 90182792

IUPAC(Z)-4-bromo-3-fluoro-2-methylidenepent-3-enal
SMILESC=C(C=O)/C(F)=C(\C)Br
InChIInChI=1S/C6H6BrFO/c1-4(3-9)6(8)5(2)7/h3H,1H2,2H3/b6-5-
InChIKeyNJADTWRDTHRMHZ-WAYWQWQTSA-N
MW193.01 g/mol
LogP2.34
Rot. Bonds2

About (Z)-4-bromo-3-fluoro-2-methylidenepent-3-enal

(Z)-4-bromo-3-fluoro-2-methylidenepent-3-enal (PubChem CID 90182792) has the molecular formula C6H6BrFO and a molecular weight of 193.01 g/mol. Its IUPAC name is (Z)-4-bromo-3-fluoro-2-methylidenepent-3-enal.

Molecular Properties

Compound Name(Z)-4-bromo-3-fluoro-2-methylidenepent-3-enal
PubChem CID90182792
Molecular FormulaC6H6BrFO
Molecular Weight193.01 g/mol
Exact Mass191.96
IUPAC Name(Z)-4-bromo-3-fluoro-2-methylidenepent-3-enal
SMILESC=C(C=O)/C(F)=C(\C)Br
InChIInChI=1S/C6H6BrFO/c1-4(3-9)6(8)5(2)7/h3H,1H2,2H3/b6-5-
InChIKeyNJADTWRDTHRMHZ-WAYWQWQTSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.01
LogP ≤ 52.34
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-bromo-3-fluoro-2-methylidenepent-3-enal?
The IUPAC name of (Z)-4-bromo-3-fluoro-2-methylidenepent-3-enal (CID 90182792) is (Z)-4-bromo-3-fluoro-2-methylidenepent-3-enal.
What is the SMILES notation for (Z)-4-bromo-3-fluoro-2-methylidenepent-3-enal?
The canonical SMILES for (Z)-4-bromo-3-fluoro-2-methylidenepent-3-enal is C=C(C=O)/C(F)=C(\C)Br.
What is the InChIKey of (Z)-4-bromo-3-fluoro-2-methylidenepent-3-enal?
The InChIKey is NJADTWRDTHRMHZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H6BrFO/c1-4(3-9)6(8)5(2)7/h3H,1H2,2H3/b6-5-.
What are the key properties of (Z)-4-bromo-3-fluoro-2-methylidenepent-3-enal?
(Z)-4-bromo-3-fluoro-2-methylidenepent-3-enal has a molecular weight of 193.01 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-bromo-3-fluoro-2-methylidenepent-3-enal is sourced from PubChem (CID 90182792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).