1-methoxy-4-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene

C15H12F4O — CID 10107919

IUPAC1-methoxy-4-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene
SMILESCOc1ccc(C(F)(F)C(F)(F)c2ccccc2)cc1
InChIInChI=1S/C15H12F4O/c1-20-13-9-7-12(8-10-13)15(18,19)14(16,17)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyIFXSUYKSSSYNOW-UHFFFAOYSA-N
MW284.25 g/mol
LogP4.58
Rot. Bonds4

About 1-methoxy-4-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene

1-methoxy-4-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene (PubChem CID 10107919) has the molecular formula C15H12F4O and a molecular weight of 284.25 g/mol. Its IUPAC name is 1-methoxy-4-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene
PubChem CID10107919
Molecular FormulaC15H12F4O
Molecular Weight284.25 g/mol
Exact Mass284.08
IUPAC Name1-methoxy-4-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene
SMILESCOc1ccc(C(F)(F)C(F)(F)c2ccccc2)cc1
InChIInChI=1S/C15H12F4O/c1-20-13-9-7-12(8-10-13)15(18,19)14(16,17)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyIFXSUYKSSSYNOW-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene?
The IUPAC name of 1-methoxy-4-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene (CID 10107919) is 1-methoxy-4-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene.
What is the SMILES notation for 1-methoxy-4-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene?
The canonical SMILES for 1-methoxy-4-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene is COc1ccc(C(F)(F)C(F)(F)c2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene?
The InChIKey is IFXSUYKSSSYNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O/c1-20-13-9-7-12(8-10-13)15(18,19)14(16,17)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 1-methoxy-4-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene?
1-methoxy-4-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene has a molecular weight of 284.25 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene is sourced from PubChem (CID 10107919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).