1-bromo-3-(10,10,10-trifluorodecoxy)benzene

C16H22BrF3O — CID 151626696

IUPAC1-bromo-3-(10,10,10-trifluorodecoxy)benzene
SMILESFC(F)(F)CCCCCCCCCOc1cccc(Br)c1
InChIInChI=1S/C16H22BrF3O/c17-14-9-8-10-15(13-14)21-12-7-5-3-1-2-4-6-11-16(18,19)20/h8-10,13H,1-7,11-12H2
InChIKeyQPQNKFSYZWWFRS-UHFFFAOYSA-N
MW367.25 g/mol
LogP6.51
Rot. Bonds10

About 1-bromo-3-(10,10,10-trifluorodecoxy)benzene

1-bromo-3-(10,10,10-trifluorodecoxy)benzene (PubChem CID 151626696) has the molecular formula C16H22BrF3O and a molecular weight of 367.25 g/mol. Its IUPAC name is 1-bromo-3-(10,10,10-trifluorodecoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-(10,10,10-trifluorodecoxy)benzene
PubChem CID151626696
Molecular FormulaC16H22BrF3O
Molecular Weight367.25 g/mol
Exact Mass366.08
IUPAC Name1-bromo-3-(10,10,10-trifluorodecoxy)benzene
SMILESFC(F)(F)CCCCCCCCCOc1cccc(Br)c1
InChIInChI=1S/C16H22BrF3O/c17-14-9-8-10-15(13-14)21-12-7-5-3-1-2-4-6-11-16(18,19)20/h8-10,13H,1-7,11-12H2
InChIKeyQPQNKFSYZWWFRS-UHFFFAOYSA-N
XLogP6.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.25
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3-(3-bromophenoxy)propane-1-thiol
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1-bromo-3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]benzene
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4-(3-bromophenoxy)butanethioamide
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1-bromo-3-[4-bromo-3-(bromomethyl)-3-methylbutoxy]benzene
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(10,10,10-trifluorodecoxy)benzene?
The IUPAC name of 1-bromo-3-(10,10,10-trifluorodecoxy)benzene (CID 151626696) is 1-bromo-3-(10,10,10-trifluorodecoxy)benzene.
What is the SMILES notation for 1-bromo-3-(10,10,10-trifluorodecoxy)benzene?
The canonical SMILES for 1-bromo-3-(10,10,10-trifluorodecoxy)benzene is FC(F)(F)CCCCCCCCCOc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(10,10,10-trifluorodecoxy)benzene?
The InChIKey is QPQNKFSYZWWFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrF3O/c17-14-9-8-10-15(13-14)21-12-7-5-3-1-2-4-6-11-16(18,19)20/h8-10,13H,1-7,11-12H2.
What are the key properties of 1-bromo-3-(10,10,10-trifluorodecoxy)benzene?
1-bromo-3-(10,10,10-trifluorodecoxy)benzene has a molecular weight of 367.25 g/mol, XLogP of 6.51, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(10,10,10-trifluorodecoxy)benzene is sourced from PubChem (CID 151626696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).