2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene

C10H9BrF4O2 — CID 176513361

IUPAC2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene
SMILESCOc1ccc(OCC(F)(F)C(F)F)c(Br)c1
InChIInChI=1S/C10H9BrF4O2/c1-16-6-2-3-8(7(11)4-6)17-5-10(14,15)9(12)13/h2-4,9H,5H2,1H3
InChIKeyFJNJBYIJZCIYMS-UHFFFAOYSA-N
MW317.08 g/mol
LogP3.74
Rot. Bonds5

About 2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene

2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene (PubChem CID 176513361) has the molecular formula C10H9BrF4O2 and a molecular weight of 317.08 g/mol. Its IUPAC name is 2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene.

Molecular Properties

Compound Name2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene
PubChem CID176513361
Molecular FormulaC10H9BrF4O2
Molecular Weight317.08 g/mol
Exact Mass315.97
IUPAC Name2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene
SMILESCOc1ccc(OCC(F)(F)C(F)F)c(Br)c1
InChIInChI=1S/C10H9BrF4O2/c1-16-6-2-3-8(7(11)4-6)17-5-10(14,15)9(12)13/h2-4,9H,5H2,1H3
InChIKeyFJNJBYIJZCIYMS-UHFFFAOYSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.08
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-methoxy-1-(4,4,4-trifluorobutoxy)benzene
CID 113443609
(1R)-1-[2-bromo-4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine
CID 114069400
3-(2-bromo-4-methoxyphenoxy)-2-methylpropan-1-ol
CID 104705248
3-(2-bromo-4-methoxyphenoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 104708435
[4-methoxy-3-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine;hydrochloride
CID 164885128
2-bromo-1-chloro-3-(2,2,3,3-tetrafluoropropoxy)benzene
CID 176513372
2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene
CID 104707383
5-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 16777766
1-(2-azidoethoxy)-2-bromo-4-methoxybenzene
CID 104708216
butyl 2-(2-bromo-4-methoxyphenoxy)acetate
CID 113443363
2-bromo-4-methoxy-1-[2-(3-methylbutoxy)ethoxy]benzene
CID 104707260
2-(2-bromo-4-methoxyphenoxy)acetohydrazide
CID 3936634

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene?
The IUPAC name of 2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene (CID 176513361) is 2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene.
What is the SMILES notation for 2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene?
The canonical SMILES for 2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene is COc1ccc(OCC(F)(F)C(F)F)c(Br)c1.
What is the InChIKey of 2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene?
The InChIKey is FJNJBYIJZCIYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF4O2/c1-16-6-2-3-8(7(11)4-6)17-5-10(14,15)9(12)13/h2-4,9H,5H2,1H3.
What are the key properties of 2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene?
2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene has a molecular weight of 317.08 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxy-1-(2,2,3,3-tetrafluoropropoxy)benzene is sourced from PubChem (CID 176513361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).