1-bromo-4-(3,3,3-trifluoropropoxy)benzene

C9H8BrF3O — CID 22913802

IUPAC1-bromo-4-(3,3,3-trifluoropropoxy)benzene
SMILESFC(F)(F)CCOc1ccc(Br)cc1
InChIInChI=1S/C9H8BrF3O/c10-7-1-3-8(4-2-7)14-6-5-9(11,12)13/h1-4H,5-6H2
InChIKeyIIDNPKMLRFCLKV-UHFFFAOYSA-N
MW269.06 g/mol
LogP3.78
Rot. Bonds3

About 1-bromo-4-(3,3,3-trifluoropropoxy)benzene

1-bromo-4-(3,3,3-trifluoropropoxy)benzene (PubChem CID 22913802) has the molecular formula C9H8BrF3O and a molecular weight of 269.06 g/mol. Its IUPAC name is 1-bromo-4-(3,3,3-trifluoropropoxy)benzene.

Molecular Properties

Compound Name1-bromo-4-(3,3,3-trifluoropropoxy)benzene
PubChem CID22913802
Molecular FormulaC9H8BrF3O
Molecular Weight269.06 g/mol
Exact Mass267.97
IUPAC Name1-bromo-4-(3,3,3-trifluoropropoxy)benzene
SMILESFC(F)(F)CCOc1ccc(Br)cc1
InChIInChI=1S/C9H8BrF3O/c10-7-1-3-8(4-2-7)14-6-5-9(11,12)13/h1-4H,5-6H2
InChIKeyIIDNPKMLRFCLKV-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 98455863
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CID 60627963
2-[2-(4-bromophenoxy)ethyl]-2-propan-2-ylpropane-1,3-diol
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CID 55106538
2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene
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1-[2-(4-bromophenoxy)ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109472375
N-[2-(4-bromophenoxy)ethyl]-4,4,4-trifluorobutan-2-amine
CID 113348392
3-[4-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 82955918
1-bromo-4-[3-(bromomethyl)-3,4-dimethylpentoxy]benzene
CID 83152114
N'-hydroxy-4-[2-(3,3,3-trifluoropropoxy)ethoxy]benzenecarboximidamide
CID 82954695
N-[[4-[2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]methyl]ethanamine
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CID 79450187

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3,3,3-trifluoropropoxy)benzene?
The IUPAC name of 1-bromo-4-(3,3,3-trifluoropropoxy)benzene (CID 22913802) is 1-bromo-4-(3,3,3-trifluoropropoxy)benzene.
What is the SMILES notation for 1-bromo-4-(3,3,3-trifluoropropoxy)benzene?
The canonical SMILES for 1-bromo-4-(3,3,3-trifluoropropoxy)benzene is FC(F)(F)CCOc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(3,3,3-trifluoropropoxy)benzene?
The InChIKey is IIDNPKMLRFCLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3O/c10-7-1-3-8(4-2-7)14-6-5-9(11,12)13/h1-4H,5-6H2.
What are the key properties of 1-bromo-4-(3,3,3-trifluoropropoxy)benzene?
1-bromo-4-(3,3,3-trifluoropropoxy)benzene has a molecular weight of 269.06 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3,3,3-trifluoropropoxy)benzene is sourced from PubChem (CID 22913802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).