1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene

C9H8F4O2 — CID 22508169

IUPAC1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene
SMILESCOc1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C9H8F4O2/c1-14-6-3-2-4-7(5-6)15-9(12,13)8(10)11/h2-5,8H,1H3
InChIKeyDTBRXBGOZZAOLV-UHFFFAOYSA-N
MW224.15 g/mol
LogP2.93
Rot. Bonds4

About 1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene

1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene (PubChem CID 22508169) has the molecular formula C9H8F4O2 and a molecular weight of 224.15 g/mol. Its IUPAC name is 1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene.

Molecular Properties

Compound Name1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene
PubChem CID22508169
Molecular FormulaC9H8F4O2
Molecular Weight224.15 g/mol
Exact Mass224.05
IUPAC Name1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene
SMILESCOc1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C9H8F4O2/c1-14-6-3-2-4-7(5-6)15-9(12,13)8(10)11/h2-5,8H,1H3
InChIKeyDTBRXBGOZZAOLV-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 52.93
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

1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene
CID 57101918
potassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide
CID 166000083
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
CID 18407225
methyl (2S)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 171208633
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
methyl (2R)-2-amino-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate;hydrochloride
CID 171228220
2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine
CID 3053563

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene?
The IUPAC name of 1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene (CID 22508169) is 1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene.
What is the SMILES notation for 1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene?
The canonical SMILES for 1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene is COc1cccc(OC(F)(F)C(F)F)c1.
What is the InChIKey of 1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene?
The InChIKey is DTBRXBGOZZAOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O2/c1-14-6-3-2-4-7(5-6)15-9(12,13)8(10)11/h2-5,8H,1H3.
What are the key properties of 1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene?
1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene has a molecular weight of 224.15 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene is sourced from PubChem (CID 22508169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).