1-bromo-3-(1-fluoropent-4-enyl)benzene

C11H12BrF — CID 68649088

IUPAC1-bromo-3-(1-fluoropent-4-enyl)benzene
SMILESC=CCCC(F)c1cccc(Br)c1
InChIInChI=1S/C11H12BrF/c1-2-3-7-11(13)9-5-4-6-10(12)8-9/h2,4-6,8,11H,1,3,7H2
InChIKeyQEAUBONPWPAJLL-UHFFFAOYSA-N
MW243.12 g/mol
LogP4.43
Rot. Bonds4

About 1-bromo-3-(1-fluoropent-4-enyl)benzene

1-bromo-3-(1-fluoropent-4-enyl)benzene (PubChem CID 68649088) has the molecular formula C11H12BrF and a molecular weight of 243.12 g/mol. Its IUPAC name is 1-bromo-3-(1-fluoropent-4-enyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(1-fluoropent-4-enyl)benzene
PubChem CID68649088
Molecular FormulaC11H12BrF
Molecular Weight243.12 g/mol
Exact Mass242.01
IUPAC Name1-bromo-3-(1-fluoropent-4-enyl)benzene
SMILESC=CCCC(F)c1cccc(Br)c1
InChIInChI=1S/C11H12BrF/c1-2-3-7-11(13)9-5-4-6-10(12)8-9/h2,4-6,8,11H,1,3,7H2
InChIKeyQEAUBONPWPAJLL-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.12
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 14665893
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1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol
CID 59703119
1-bromo-3-[(2R)-but-3-en-2-yl]benzene
CID 42611824
N-[1-(3-bromophenyl)ethyl]pent-4-enamide
CID 62678897
3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol
CID 55098950
1-bromo-3-(1-fluoroethyl)benzene;ethane
CID 143612621
1-(3-bromophenyl)-2,2-difluoroethanamine
CID 84699210
1-(3-bromophenyl)-1-fluoropropan-2-one
CID 89296594
1-(3-bromophenyl)-N-(2-but-3-enoxyethyl)propan-1-amine
CID 113349211
3-(difluoromethyl)-N-hex-5-en-2-ylaniline
CID 104584125
1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol
CID 115804584

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(1-fluoropent-4-enyl)benzene?
The IUPAC name of 1-bromo-3-(1-fluoropent-4-enyl)benzene (CID 68649088) is 1-bromo-3-(1-fluoropent-4-enyl)benzene.
What is the SMILES notation for 1-bromo-3-(1-fluoropent-4-enyl)benzene?
The canonical SMILES for 1-bromo-3-(1-fluoropent-4-enyl)benzene is C=CCCC(F)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(1-fluoropent-4-enyl)benzene?
The InChIKey is QEAUBONPWPAJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF/c1-2-3-7-11(13)9-5-4-6-10(12)8-9/h2,4-6,8,11H,1,3,7H2.
What are the key properties of 1-bromo-3-(1-fluoropent-4-enyl)benzene?
1-bromo-3-(1-fluoropent-4-enyl)benzene has a molecular weight of 243.12 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(1-fluoropent-4-enyl)benzene is sourced from PubChem (CID 68649088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).