4-(5-bromopentyl)-1,2-difluorobenzene

C11H13BrF2 — CID 57182682

IUPAC4-(5-bromopentyl)-1,2-difluorobenzene
SMILESFc1ccc(CCCCCBr)cc1F
InChIInChI=1S/C11H13BrF2/c12-7-3-1-2-4-9-5-6-10(13)11(14)8-9/h5-6,8H,1-4,7H2
InChIKeySYSBBQPOXDDWGH-UHFFFAOYSA-N
MW263.12 g/mol
LogP4.07
Rot. Bonds5

About 4-(5-bromopentyl)-1,2-difluorobenzene

4-(5-bromopentyl)-1,2-difluorobenzene (PubChem CID 57182682) has the molecular formula C11H13BrF2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 4-(5-bromopentyl)-1,2-difluorobenzene.

Molecular Properties

Compound Name4-(5-bromopentyl)-1,2-difluorobenzene
PubChem CID57182682
Molecular FormulaC11H13BrF2
Molecular Weight263.12 g/mol
Exact Mass262.02
IUPAC Name4-(5-bromopentyl)-1,2-difluorobenzene
SMILESFc1ccc(CCCCCBr)cc1F
InChIInChI=1S/C11H13BrF2/c12-7-3-1-2-4-9-5-6-10(13)11(14)8-9/h5-6,8H,1-4,7H2
InChIKeySYSBBQPOXDDWGH-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 64506679
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6-bromo-1-(3,4-difluorophenyl)hexan-3-one
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11-(3,4-difluorophenyl)undecanal
CID 123357909
5-(3,4-difluorophenyl)pentanal
CID 82255703
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CID 107847518
4-(3-bromopropyl)-2-fluoro-1-(10,10,10-trifluorodecyl)benzene
CID 150452621
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
5-(3,4-difluorophenyl)-N'-methylpentanehydrazide
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1,2-difluoro-4-[2-fluoro-4-[5-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene
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CID 157471517

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopentyl)-1,2-difluorobenzene?
The IUPAC name of 4-(5-bromopentyl)-1,2-difluorobenzene (CID 57182682) is 4-(5-bromopentyl)-1,2-difluorobenzene.
What is the SMILES notation for 4-(5-bromopentyl)-1,2-difluorobenzene?
The canonical SMILES for 4-(5-bromopentyl)-1,2-difluorobenzene is Fc1ccc(CCCCCBr)cc1F.
What is the InChIKey of 4-(5-bromopentyl)-1,2-difluorobenzene?
The InChIKey is SYSBBQPOXDDWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2/c12-7-3-1-2-4-9-5-6-10(13)11(14)8-9/h5-6,8H,1-4,7H2.
What are the key properties of 4-(5-bromopentyl)-1,2-difluorobenzene?
4-(5-bromopentyl)-1,2-difluorobenzene has a molecular weight of 263.12 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopentyl)-1,2-difluorobenzene is sourced from PubChem (CID 57182682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).