(3E)-4-(1,3-difluoropropan-2-yloxy)penta-1,3-diene

C8H12F2O — CID 89442365

IUPAC(3E)-4-(1,3-difluoropropan-2-yloxy)penta-1,3-diene
SMILESC=C/C=C(\C)OC(CF)CF
InChIInChI=1S/C8H12F2O/c1-3-4-7(2)11-8(5-9)6-10/h3-4,8H,1,5-6H2,2H3/b7-4+
InChIKeyBJDFXQXECMSRSC-QPJJXVBHSA-N
MW162.18 g/mol
LogP2.40
Rot. Bonds5

About (3E)-4-(1,3-difluoropropan-2-yloxy)penta-1,3-diene

(3E)-4-(1,3-difluoropropan-2-yloxy)penta-1,3-diene (PubChem CID 89442365) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is (3E)-4-(1,3-difluoropropan-2-yloxy)penta-1,3-diene.

Molecular Properties

Compound Name(3E)-4-(1,3-difluoropropan-2-yloxy)penta-1,3-diene
PubChem CID89442365
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(3E)-4-(1,3-difluoropropan-2-yloxy)penta-1,3-diene
SMILESC=C/C=C(\C)OC(CF)CF
InChIInChI=1S/C8H12F2O/c1-3-4-7(2)11-8(5-9)6-10/h3-4,8H,1,5-6H2,2H3/b7-4+
InChIKeyBJDFXQXECMSRSC-QPJJXVBHSA-N
XLogP2.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
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 (3E)-4-(1,3-difluoropropan-2-yloxy)penta-1,3-diene?
The IUPAC name of (3E)-4-(1,3-difluoropropan-2-yloxy)penta-1,3-diene (CID 89442365) is (3E)-4-(1,3-difluoropropan-2-yloxy)penta-1,3-diene.
What is the SMILES notation for (3E)-4-(1,3-difluoropropan-2-yloxy)penta-1,3-diene?
The canonical SMILES for (3E)-4-(1,3-difluoropropan-2-yloxy)penta-1,3-diene is C=C/C=C(\C)OC(CF)CF.
What is the InChIKey of (3E)-4-(1,3-difluoropropan-2-yloxy)penta-1,3-diene?
The InChIKey is BJDFXQXECMSRSC-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H12F2O/c1-3-4-7(2)11-8(5-9)6-10/h3-4,8H,1,5-6H2,2H3/b7-4+.
What are the key properties of (3E)-4-(1,3-difluoropropan-2-yloxy)penta-1,3-diene?
(3E)-4-(1,3-difluoropropan-2-yloxy)penta-1,3-diene has a molecular weight of 162.18 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-(1,3-difluoropropan-2-yloxy)penta-1,3-diene is sourced from PubChem (CID 89442365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).