(3Z)-4-bromo-2-fluoropenta-1,3-dien-3-ol

C5H6BrFO — CID 178163721

IUPAC(3Z)-4-bromo-2-fluoropenta-1,3-dien-3-ol
SMILESC=C(F)/C(O)=C(\C)Br
InChIInChI=1S/C5H6BrFO/c1-3(6)5(8)4(2)7/h8H,2H2,1H3/b5-3-
InChIKeyMJNTWVSGYKNCIP-HYXAFXHYSA-N
MW181.00 g/mol
LogP2.65
Rot. Bonds1

About (3Z)-4-bromo-2-fluoropenta-1,3-dien-3-ol

(3Z)-4-bromo-2-fluoropenta-1,3-dien-3-ol (PubChem CID 178163721) has the molecular formula C5H6BrFO and a molecular weight of 181.00 g/mol. Its IUPAC name is (3Z)-4-bromo-2-fluoropenta-1,3-dien-3-ol.

Molecular Properties

Compound Name(3Z)-4-bromo-2-fluoropenta-1,3-dien-3-ol
PubChem CID178163721
Molecular FormulaC5H6BrFO
Molecular Weight181.00 g/mol
Exact Mass179.96
IUPAC Name(3Z)-4-bromo-2-fluoropenta-1,3-dien-3-ol
SMILESC=C(F)/C(O)=C(\C)Br
InChIInChI=1S/C5H6BrFO/c1-3(6)5(8)4(2)7/h8H,2H2,1H3/b5-3-
InChIKeyMJNTWVSGYKNCIP-HYXAFXHYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.00
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-bromo-2-fluoropenta-1,3-dien-3-ol?
The IUPAC name of (3Z)-4-bromo-2-fluoropenta-1,3-dien-3-ol (CID 178163721) is (3Z)-4-bromo-2-fluoropenta-1,3-dien-3-ol.
What is the SMILES notation for (3Z)-4-bromo-2-fluoropenta-1,3-dien-3-ol?
The canonical SMILES for (3Z)-4-bromo-2-fluoropenta-1,3-dien-3-ol is C=C(F)/C(O)=C(\C)Br.
What is the InChIKey of (3Z)-4-bromo-2-fluoropenta-1,3-dien-3-ol?
The InChIKey is MJNTWVSGYKNCIP-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H6BrFO/c1-3(6)5(8)4(2)7/h8H,2H2,1H3/b5-3-.
What are the key properties of (3Z)-4-bromo-2-fluoropenta-1,3-dien-3-ol?
(3Z)-4-bromo-2-fluoropenta-1,3-dien-3-ol has a molecular weight of 181.00 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-bromo-2-fluoropenta-1,3-dien-3-ol is sourced from PubChem (CID 178163721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).