(4-bromo-5,5-difluoropent-4-enyl)benzene

C11H11BrF2 — CID 175870793

IUPAC(4-bromo-5,5-difluoropent-4-enyl)benzene
SMILESFC(F)=C(Br)CCCc1ccccc1
InChIInChI=1S/C11H11BrF2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyYPJAXPHJJKAAFO-UHFFFAOYSA-N
MW261.11 g/mol
LogP4.51
Rot. Bonds4

About (4-bromo-5,5-difluoropent-4-enyl)benzene

(4-bromo-5,5-difluoropent-4-enyl)benzene (PubChem CID 175870793) has the molecular formula C11H11BrF2 and a molecular weight of 261.11 g/mol. Its IUPAC name is (4-bromo-5,5-difluoropent-4-enyl)benzene.

Molecular Properties

Compound Name(4-bromo-5,5-difluoropent-4-enyl)benzene
PubChem CID175870793
Molecular FormulaC11H11BrF2
Molecular Weight261.11 g/mol
Exact Mass260.00
IUPAC Name(4-bromo-5,5-difluoropent-4-enyl)benzene
SMILESFC(F)=C(Br)CCCc1ccccc1
InChIInChI=1S/C11H11BrF2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyYPJAXPHJJKAAFO-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,4-bis(3-phenylpropyl)benzene
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5-phenylpentan-2-one
CID 16701
4-phenylbutanoyl chloride
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8-amino-1-phenyloctan-4-one
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1,4-diphenylbutylidenehafnium(2+)
CID 158566211
lithium 4-phenylbutanoate
CID 50923149
5,5-difluoropent-4-enylbenzene
CID 15268524

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5,5-difluoropent-4-enyl)benzene?
The IUPAC name of (4-bromo-5,5-difluoropent-4-enyl)benzene (CID 175870793) is (4-bromo-5,5-difluoropent-4-enyl)benzene.
What is the SMILES notation for (4-bromo-5,5-difluoropent-4-enyl)benzene?
The canonical SMILES for (4-bromo-5,5-difluoropent-4-enyl)benzene is FC(F)=C(Br)CCCc1ccccc1.
What is the InChIKey of (4-bromo-5,5-difluoropent-4-enyl)benzene?
The InChIKey is YPJAXPHJJKAAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2.
What are the key properties of (4-bromo-5,5-difluoropent-4-enyl)benzene?
(4-bromo-5,5-difluoropent-4-enyl)benzene has a molecular weight of 261.11 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5,5-difluoropent-4-enyl)benzene is sourced from PubChem (CID 175870793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).