2,2,2-trifluoro-1-[3-methyl-4-(methylamino)phenyl]-1-phenylethanol

C16H16F3NO — CID 22042623

IUPAC2,2,2-trifluoro-1-[3-methyl-4-(methylamino)phenyl]-1-phenylethanol
SMILESCNc1ccc(C(O)(c2ccccc2)C(F)(F)F)cc1C
InChIInChI=1S/C16H16F3NO/c1-11-10-13(8-9-14(11)20-2)15(21,16(17,18)19)12-6-4-3-5-7-12/h3-10,20-21H,1-2H3
InChIKeyFEUHHFSWCLHAQT-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.83
Rot. Bonds3

About 2,2,2-trifluoro-1-[3-methyl-4-(methylamino)phenyl]-1-phenylethanol

2,2,2-trifluoro-1-[3-methyl-4-(methylamino)phenyl]-1-phenylethanol (PubChem CID 22042623) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-methyl-4-(methylamino)phenyl]-1-phenylethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-methyl-4-(methylamino)phenyl]-1-phenylethanol
PubChem CID22042623
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2,2,2-trifluoro-1-[3-methyl-4-(methylamino)phenyl]-1-phenylethanol
SMILESCNc1ccc(C(O)(c2ccccc2)C(F)(F)F)cc1C
InChIInChI=1S/C16H16F3NO/c1-11-10-13(8-9-14(11)20-2)15(21,16(17,18)19)12-6-4-3-5-7-12/h3-10,20-21H,1-2H3
InChIKeyFEUHHFSWCLHAQT-UHFFFAOYSA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-methyl-4-(methylamino)phenyl]-1-phenylethanol?
The IUPAC name of 2,2,2-trifluoro-1-[3-methyl-4-(methylamino)phenyl]-1-phenylethanol (CID 22042623) is 2,2,2-trifluoro-1-[3-methyl-4-(methylamino)phenyl]-1-phenylethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-methyl-4-(methylamino)phenyl]-1-phenylethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[3-methyl-4-(methylamino)phenyl]-1-phenylethanol is CNc1ccc(C(O)(c2ccccc2)C(F)(F)F)cc1C.
What is the InChIKey of 2,2,2-trifluoro-1-[3-methyl-4-(methylamino)phenyl]-1-phenylethanol?
The InChIKey is FEUHHFSWCLHAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11-10-13(8-9-14(11)20-2)15(21,16(17,18)19)12-6-4-3-5-7-12/h3-10,20-21H,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[3-methyl-4-(methylamino)phenyl]-1-phenylethanol?
2,2,2-trifluoro-1-[3-methyl-4-(methylamino)phenyl]-1-phenylethanol has a molecular weight of 295.30 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-methyl-4-(methylamino)phenyl]-1-phenylethanol is sourced from PubChem (CID 22042623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).