5,5-difluoropent-4-enylbenzene

C11H12F2 — CID 15268524

IUPAC5,5-difluoropent-4-enylbenzene
SMILESFC(F)=CCCCc1ccccc1
InChIInChI=1S/C11H12F2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,9H,4-5,8H2
InChIKeyQOQQCKCVGBRPGV-UHFFFAOYSA-N
MW182.21 g/mol
LogP3.79
Rot. Bonds4

About 5,5-difluoropent-4-enylbenzene

5,5-difluoropent-4-enylbenzene (PubChem CID 15268524) has the molecular formula C11H12F2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 5,5-difluoropent-4-enylbenzene.

Molecular Properties

Compound Name5,5-difluoropent-4-enylbenzene
PubChem CID15268524
Molecular FormulaC11H12F2
Molecular Weight182.21 g/mol
Exact Mass182.09
IUPAC Name5,5-difluoropent-4-enylbenzene
SMILESFC(F)=CCCCc1ccccc1
InChIInChI=1S/C11H12F2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,9H,4-5,8H2
InChIKeyQOQQCKCVGBRPGV-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(E)-5-phenylhex-4-enyl]benzene
CID 14767514
S-(6,6-difluorohex-5-enyl) 2-phenylethanethioate
CID 11651932
4-phenylbutylbenzene
CID 141301927
(4-bromo-4-fluorobut-3-enyl)benzene
CID 71421113
[(3E,5Z)-1,9-diphenylnona-3,5-dien-5-yl]benzene
CID 16664377
[(E)-1-iodo-5-phenylpent-1-enyl]-dimethyl-phenylsilane
CID 11338697
hafnium;4-phenylbutylbenzene
CID 175889972
1,4-bis(3-phenylpropyl)benzene
CID 59467322
methane;4-phenylbutylbenzene
CID 173386802
CID 159131095
CID 159131095
[(E)-5-bromopent-4-enyl]benzene
CID 15076450
[(3E)-6,6-difluorohexa-3,5-dienyl]benzene
CID 14665877

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoropent-4-enylbenzene?
The IUPAC name of 5,5-difluoropent-4-enylbenzene (CID 15268524) is 5,5-difluoropent-4-enylbenzene.
What is the SMILES notation for 5,5-difluoropent-4-enylbenzene?
The canonical SMILES for 5,5-difluoropent-4-enylbenzene is FC(F)=CCCCc1ccccc1.
What is the InChIKey of 5,5-difluoropent-4-enylbenzene?
The InChIKey is QOQQCKCVGBRPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,9H,4-5,8H2.
What are the key properties of 5,5-difluoropent-4-enylbenzene?
5,5-difluoropent-4-enylbenzene has a molecular weight of 182.21 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoropent-4-enylbenzene is sourced from PubChem (CID 15268524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).