5-bromo-1-decoxy-2,3-difluorobenzene

C16H23BrF2O — CID 107098815

IUPAC5-bromo-1-decoxy-2,3-difluorobenzene
SMILESCCCCCCCCCCOc1cc(Br)cc(F)c1F
InChIInChI=1S/C16H23BrF2O/c1-2-3-4-5-6-7-8-9-10-20-15-12-13(17)11-14(18)16(15)19/h11-12H,2-10H2,1H3
InChIKeyGJUOOVNQEMOSCN-UHFFFAOYSA-N
MW349.26 g/mol
LogP6.25
Rot. Bonds10

About 5-bromo-1-decoxy-2,3-difluorobenzene

5-bromo-1-decoxy-2,3-difluorobenzene (PubChem CID 107098815) has the molecular formula C16H23BrF2O and a molecular weight of 349.26 g/mol. Its IUPAC name is 5-bromo-1-decoxy-2,3-difluorobenzene.

Molecular Properties

Compound Name5-bromo-1-decoxy-2,3-difluorobenzene
PubChem CID107098815
Molecular FormulaC16H23BrF2O
Molecular Weight349.26 g/mol
Exact Mass348.09
IUPAC Name5-bromo-1-decoxy-2,3-difluorobenzene
SMILESCCCCCCCCCCOc1cc(Br)cc(F)c1F
InChIInChI=1S/C16H23BrF2O/c1-2-3-4-5-6-7-8-9-10-20-15-12-13(17)11-14(18)16(15)19/h11-12H,2-10H2,1H3
InChIKeyGJUOOVNQEMOSCN-UHFFFAOYSA-N
XLogP6.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.26
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-2,3-difluorophenoxy)butane-1-thiol
CID 107102524
5-bromo-1-butoxy-3-chloro-2-fluorobenzene
CID 125116125
5-bromo-1-(3,3-dimethylbutoxy)-2,3-difluorobenzene
CID 107098584
5-bromo-1,2-difluoro-3-(4,4,4-trifluorobutoxy)benzene
CID 107098654
5-(5-bromo-2,3-difluorophenoxy)pentan-2-one
CID 107100400
5-bromo-1,2-difluoro-3-pent-4-ynoxybenzene
CID 107098739
1,4-dibromo-2,5-dihexoxybenzene;1,3,5-tribromobenzene
CID 161271933
5-bromo-1,2-difluoro-3-(3,3,3-trifluoropropoxy)benzene
CID 107098938
2-[3-(5-bromo-2,3-difluorophenoxy)propoxy]aniline
CID 107097705
N-[3-(5-bromo-2,3-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 107101304
1-dodecoxy-2,3-difluorobenzene
CID 15854521
1,2-dibromo-4,5-didecoxybenzene
CID 71339465

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-decoxy-2,3-difluorobenzene?
The IUPAC name of 5-bromo-1-decoxy-2,3-difluorobenzene (CID 107098815) is 5-bromo-1-decoxy-2,3-difluorobenzene.
What is the SMILES notation for 5-bromo-1-decoxy-2,3-difluorobenzene?
The canonical SMILES for 5-bromo-1-decoxy-2,3-difluorobenzene is CCCCCCCCCCOc1cc(Br)cc(F)c1F.
What is the InChIKey of 5-bromo-1-decoxy-2,3-difluorobenzene?
The InChIKey is GJUOOVNQEMOSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrF2O/c1-2-3-4-5-6-7-8-9-10-20-15-12-13(17)11-14(18)16(15)19/h11-12H,2-10H2,1H3.
What are the key properties of 5-bromo-1-decoxy-2,3-difluorobenzene?
5-bromo-1-decoxy-2,3-difluorobenzene has a molecular weight of 349.26 g/mol, XLogP of 6.25, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-decoxy-2,3-difluorobenzene is sourced from PubChem (CID 107098815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).