1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene

C15H12F4O2 — CID 57101918

IUPAC1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene
SMILESCOc1ccc(-c2cccc(OC(F)(F)C(F)F)c2)cc1
InChIInChI=1S/C15H12F4O2/c1-20-12-7-5-10(6-8-12)11-3-2-4-13(9-11)21-15(18,19)14(16)17/h2-9,14H,1H3
InChIKeyPPJICVUMOAKRMK-UHFFFAOYSA-N
MW300.25 g/mol
LogP4.60
Rot. Bonds5

About 1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene

1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene (PubChem CID 57101918) has the molecular formula C15H12F4O2 and a molecular weight of 300.25 g/mol. Its IUPAC name is 1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene
PubChem CID57101918
Molecular FormulaC15H12F4O2
Molecular Weight300.25 g/mol
Exact Mass300.08
IUPAC Name1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene
SMILESCOc1ccc(-c2cccc(OC(F)(F)C(F)F)c2)cc1
InChIInChI=1S/C15H12F4O2/c1-20-12-7-5-10(6-8-12)11-3-2-4-13(9-11)21-15(18,19)14(16)17/h2-9,14H,1H3
InChIKeyPPJICVUMOAKRMK-UHFFFAOYSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.60
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-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 22508169
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
CID 162208171
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
potassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide
CID 166000083
4-(2H-azirin-2-yl)-5-[4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-2H-triazole
CID 170147334
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
3-fluoro-5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzaldehyde
CID 122475753
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene?
The IUPAC name of 1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene (CID 57101918) is 1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene.
What is the SMILES notation for 1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene?
The canonical SMILES for 1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene is COc1ccc(-c2cccc(OC(F)(F)C(F)F)c2)cc1.
What is the InChIKey of 1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene?
The InChIKey is PPJICVUMOAKRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O2/c1-20-12-7-5-10(6-8-12)11-3-2-4-13(9-11)21-15(18,19)14(16)17/h2-9,14H,1H3.
What are the key properties of 1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene?
1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene has a molecular weight of 300.25 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzene is sourced from PubChem (CID 57101918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).