1-(1-bromo-1,2,2,2-tetrafluoroethoxy)-4-methoxybenzene

C9H7BrF4O2 — CID 155895177

IUPAC1-(1-bromo-1,2,2,2-tetrafluoroethoxy)-4-methoxybenzene
SMILESCOc1ccc(OC(F)(Br)C(F)(F)F)cc1
InChIInChI=1S/C9H7BrF4O2/c1-15-6-2-4-7(5-3-6)16-8(10,11)9(12,13)14/h2-5H,1H3
InChIKeyLBGRBWIWGGYQCE-UHFFFAOYSA-N
MW303.05 g/mol
LogP3.65
Rot. Bonds3

About 1-(1-bromo-1,2,2,2-tetrafluoroethoxy)-4-methoxybenzene

1-(1-bromo-1,2,2,2-tetrafluoroethoxy)-4-methoxybenzene (PubChem CID 155895177) has the molecular formula C9H7BrF4O2 and a molecular weight of 303.05 g/mol. Its IUPAC name is 1-(1-bromo-1,2,2,2-tetrafluoroethoxy)-4-methoxybenzene.

Molecular Properties

Compound Name1-(1-bromo-1,2,2,2-tetrafluoroethoxy)-4-methoxybenzene
PubChem CID155895177
Molecular FormulaC9H7BrF4O2
Molecular Weight303.05 g/mol
Exact Mass301.96
IUPAC Name1-(1-bromo-1,2,2,2-tetrafluoroethoxy)-4-methoxybenzene
SMILESCOc1ccc(OC(F)(Br)C(F)(F)F)cc1
InChIInChI=1S/C9H7BrF4O2/c1-15-6-2-4-7(5-3-6)16-8(10,11)9(12,13)14/h2-5H,1H3
InChIKeyLBGRBWIWGGYQCE-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.05
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
CID 59726185
1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene
CID 154711398
1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene
CID 82089720
1-methoxy-4-[5-[4-(trifluoromethoxy)phenyl]penta-1,4-diynyl]benzene
CID 144581648
(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 164523179
ethyl 3,3,3-trifluoro-2-(4-methoxyphenoxy)-2-(trifluoromethyl)propanoate
CID 13384242
4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257725
1,1,1-trifluoro-2-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 66204746
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 175254129
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene
CID 11830222

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-1,2,2,2-tetrafluoroethoxy)-4-methoxybenzene?
The IUPAC name of 1-(1-bromo-1,2,2,2-tetrafluoroethoxy)-4-methoxybenzene (CID 155895177) is 1-(1-bromo-1,2,2,2-tetrafluoroethoxy)-4-methoxybenzene.
What is the SMILES notation for 1-(1-bromo-1,2,2,2-tetrafluoroethoxy)-4-methoxybenzene?
The canonical SMILES for 1-(1-bromo-1,2,2,2-tetrafluoroethoxy)-4-methoxybenzene is COc1ccc(OC(F)(Br)C(F)(F)F)cc1.
What is the InChIKey of 1-(1-bromo-1,2,2,2-tetrafluoroethoxy)-4-methoxybenzene?
The InChIKey is LBGRBWIWGGYQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF4O2/c1-15-6-2-4-7(5-3-6)16-8(10,11)9(12,13)14/h2-5H,1H3.
What are the key properties of 1-(1-bromo-1,2,2,2-tetrafluoroethoxy)-4-methoxybenzene?
1-(1-bromo-1,2,2,2-tetrafluoroethoxy)-4-methoxybenzene has a molecular weight of 303.05 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-1,2,2,2-tetrafluoroethoxy)-4-methoxybenzene is sourced from PubChem (CID 155895177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).