1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene

C14H20BrFO2 — CID 63447638

IUPAC1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene
SMILESCCCCCC(Br)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C14H20BrFO2/c1-4-5-6-7-11(15)10-8-13(17-2)14(18-3)9-12(10)16/h8-9,11H,4-7H2,1-3H3
InChIKeyCPGPJFHGZPURRM-UHFFFAOYSA-N
MW319.21 g/mol
LogP4.86
Rot. Bonds7

About 1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene

1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene (PubChem CID 63447638) has the molecular formula C14H20BrFO2 and a molecular weight of 319.21 g/mol. Its IUPAC name is 1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene
PubChem CID63447638
Molecular FormulaC14H20BrFO2
Molecular Weight319.21 g/mol
Exact Mass318.06
IUPAC Name1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene
SMILESCCCCCC(Br)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C14H20BrFO2/c1-4-5-6-7-11(15)10-8-13(17-2)14(18-3)9-12(10)16/h8-9,11H,4-7H2,1-3H3
InChIKeyCPGPJFHGZPURRM-UHFFFAOYSA-N
XLogP4.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol
CID 114753416
1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene
CID 63440644
1-(1-bromooctyl)-4,5-dimethoxy-2-methylbenzene
CID 63443348
1-(1-bromooctyl)-2,4-difluoro-5-methylbenzene
CID 79731208
2-(1-bromoheptyl)-1,3-difluoro-5-methoxybenzene
CID 114753540
2-(1-bromononyl)-4-chloro-1-methoxybenzene
CID 104546445
4-(1-bromononyl)-2-fluoro-1-methoxybenzene
CID 65426024
1-(1-bromo-3,3-dimethylbutyl)-2-fluoro-4,5-dimethoxybenzene
CID 63447865
1-(5-bromo-4-fluoro-2-methoxyphenyl)nonan-1-amine
CID 103394461
1-bromo-2-(1-bromohexyl)-4,5-diethoxybenzene
CID 63441595
(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pentane-1,5-diamine;hydrochloride
CID 171213964
2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine
CID 62868133

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene?
The IUPAC name of 1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene (CID 63447638) is 1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene.
What is the SMILES notation for 1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene?
The canonical SMILES for 1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene is CCCCCC(Br)c1cc(OC)c(OC)cc1F.
What is the InChIKey of 1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene?
The InChIKey is CPGPJFHGZPURRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFO2/c1-4-5-6-7-11(15)10-8-13(17-2)14(18-3)9-12(10)16/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene?
1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene has a molecular weight of 319.21 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene is sourced from PubChem (CID 63447638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).