1-methyl-4-[(2R)-1,1,2-trifluoro-2-[(1S)-1,2,2-trifluoro-2-(4-methylphenyl)ethoxy]ethyl]benzene

C18H16F6O — CID 23236602

IUPAC1-methyl-4-[(2R)-1,1,2-trifluoro-2-[(1S)-1,2,2-trifluoro-2-(4-methylphenyl)ethoxy]ethyl]benzene
SMILESCc1ccc(C(F)(F)[C@H](F)O[C@H](F)C(F)(F)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H16F6O/c1-11-3-7-13(8-4-11)17(21,22)15(19)25-16(20)18(23,24)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3/t15-,16+
InChIKeyUICFVLJCZVTTCH-IYBDPMFKSA-N
MW362.31 g/mol
LogP5.80
Rot. Bonds6

About 1-methyl-4-[(2R)-1,1,2-trifluoro-2-[(1S)-1,2,2-trifluoro-2-(4-methylphenyl)ethoxy]ethyl]benzene

1-methyl-4-[(2R)-1,1,2-trifluoro-2-[(1S)-1,2,2-trifluoro-2-(4-methylphenyl)ethoxy]ethyl]benzene (PubChem CID 23236602) has the molecular formula C18H16F6O and a molecular weight of 362.31 g/mol. Its IUPAC name is 1-methyl-4-[(2R)-1,1,2-trifluoro-2-[(1S)-1,2,2-trifluoro-2-(4-methylphenyl)ethoxy]ethyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(2R)-1,1,2-trifluoro-2-[(1S)-1,2,2-trifluoro-2-(4-methylphenyl)ethoxy]ethyl]benzene
PubChem CID23236602
Molecular FormulaC18H16F6O
Molecular Weight362.31 g/mol
Exact Mass362.11
IUPAC Name1-methyl-4-[(2R)-1,1,2-trifluoro-2-[(1S)-1,2,2-trifluoro-2-(4-methylphenyl)ethoxy]ethyl]benzene
SMILESCc1ccc(C(F)(F)[C@H](F)O[C@H](F)C(F)(F)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H16F6O/c1-11-3-7-13(8-4-11)17(21,22)15(19)25-16(20)18(23,24)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3/t15-,16+
InChIKeyUICFVLJCZVTTCH-IYBDPMFKSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.31
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2R)-1,1,2-trifluoro-2-[(1S)-1,2,2-trifluoro-2-(4-methylphenyl)ethoxy]ethyl]benzene?
The IUPAC name of 1-methyl-4-[(2R)-1,1,2-trifluoro-2-[(1S)-1,2,2-trifluoro-2-(4-methylphenyl)ethoxy]ethyl]benzene (CID 23236602) is 1-methyl-4-[(2R)-1,1,2-trifluoro-2-[(1S)-1,2,2-trifluoro-2-(4-methylphenyl)ethoxy]ethyl]benzene.
What is the SMILES notation for 1-methyl-4-[(2R)-1,1,2-trifluoro-2-[(1S)-1,2,2-trifluoro-2-(4-methylphenyl)ethoxy]ethyl]benzene?
The canonical SMILES for 1-methyl-4-[(2R)-1,1,2-trifluoro-2-[(1S)-1,2,2-trifluoro-2-(4-methylphenyl)ethoxy]ethyl]benzene is Cc1ccc(C(F)(F)[C@H](F)O[C@H](F)C(F)(F)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-[(2R)-1,1,2-trifluoro-2-[(1S)-1,2,2-trifluoro-2-(4-methylphenyl)ethoxy]ethyl]benzene?
The InChIKey is UICFVLJCZVTTCH-IYBDPMFKSA-N. The full InChI is InChI=1S/C18H16F6O/c1-11-3-7-13(8-4-11)17(21,22)15(19)25-16(20)18(23,24)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3/t15-,16+.
What are the key properties of 1-methyl-4-[(2R)-1,1,2-trifluoro-2-[(1S)-1,2,2-trifluoro-2-(4-methylphenyl)ethoxy]ethyl]benzene?
1-methyl-4-[(2R)-1,1,2-trifluoro-2-[(1S)-1,2,2-trifluoro-2-(4-methylphenyl)ethoxy]ethyl]benzene has a molecular weight of 362.31 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2R)-1,1,2-trifluoro-2-[(1S)-1,2,2-trifluoro-2-(4-methylphenyl)ethoxy]ethyl]benzene is sourced from PubChem (CID 23236602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).