(3Z)-1,1,2,3,4-pentafluorobuta-1,3-diene

C4HF5 — CID 18927925

IUPAC(3Z)-1,1,2,3,4-pentafluorobuta-1,3-diene
SMILESF/C=C(\F)C(F)=C(F)F
InChIInChI=1S/C4HF5/c5-1-2(6)3(7)4(8)9/h1H/b2-1-
InChIKeyRCGWWNMFBGSXJO-UPHRSURJSA-N
MW144.04 g/mol
LogP2.84
Rot. Bonds1

About (3Z)-1,1,2,3,4-pentafluorobuta-1,3-diene

(3Z)-1,1,2,3,4-pentafluorobuta-1,3-diene (PubChem CID 18927925) has the molecular formula C4HF5 and a molecular weight of 144.04 g/mol. Its IUPAC name is (3Z)-1,1,2,3,4-pentafluorobuta-1,3-diene.

Molecular Properties

Compound Name(3Z)-1,1,2,3,4-pentafluorobuta-1,3-diene
PubChem CID18927925
Molecular FormulaC4HF5
Molecular Weight144.04 g/mol
Exact Mass144.00
IUPAC Name(3Z)-1,1,2,3,4-pentafluorobuta-1,3-diene
SMILESF/C=C(\F)C(F)=C(F)F
InChIInChI=1S/C4HF5/c5-1-2(6)3(7)4(8)9/h1H/b2-1-
InChIKeyRCGWWNMFBGSXJO-UPHRSURJSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.04
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1,1,2,3,4-pentafluorobuta-1,3-diene?
The IUPAC name of (3Z)-1,1,2,3,4-pentafluorobuta-1,3-diene (CID 18927925) is (3Z)-1,1,2,3,4-pentafluorobuta-1,3-diene.
What is the SMILES notation for (3Z)-1,1,2,3,4-pentafluorobuta-1,3-diene?
The canonical SMILES for (3Z)-1,1,2,3,4-pentafluorobuta-1,3-diene is F/C=C(\F)C(F)=C(F)F.
What is the InChIKey of (3Z)-1,1,2,3,4-pentafluorobuta-1,3-diene?
The InChIKey is RCGWWNMFBGSXJO-UPHRSURJSA-N. The full InChI is InChI=1S/C4HF5/c5-1-2(6)3(7)4(8)9/h1H/b2-1-.
What are the key properties of (3Z)-1,1,2,3,4-pentafluorobuta-1,3-diene?
(3Z)-1,1,2,3,4-pentafluorobuta-1,3-diene has a molecular weight of 144.04 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1,1,2,3,4-pentafluorobuta-1,3-diene is sourced from PubChem (CID 18927925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).