2-[1,1,1-trifluoro-2-methoxy-3-(methylamino)propan-2-yl]phenol

C11H14F3NO2 — CID 84737640

IUPAC2-[1,1,1-trifluoro-2-methoxy-3-(methylamino)propan-2-yl]phenol
SMILESCNCC(OC)(c1ccccc1O)C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-15-7-10(17-2,11(12,13)14)8-5-3-4-6-9(8)16/h3-6,15-16H,7H2,1-2H3
InChIKeyORZSYIQJSQEHIV-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.02
Rot. Bonds4

About 2-[1,1,1-trifluoro-2-methoxy-3-(methylamino)propan-2-yl]phenol

2-[1,1,1-trifluoro-2-methoxy-3-(methylamino)propan-2-yl]phenol (PubChem CID 84737640) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-[1,1,1-trifluoro-2-methoxy-3-(methylamino)propan-2-yl]phenol.

Molecular Properties

Compound Name2-[1,1,1-trifluoro-2-methoxy-3-(methylamino)propan-2-yl]phenol
PubChem CID84737640
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name2-[1,1,1-trifluoro-2-methoxy-3-(methylamino)propan-2-yl]phenol
SMILESCNCC(OC)(c1ccccc1O)C(F)(F)F
InChIInChI=1S/C11H14F3NO2/c1-15-7-10(17-2,11(12,13)14)8-5-3-4-6-9(8)16/h3-6,15-16H,7H2,1-2H3
InChIKeyORZSYIQJSQEHIV-UHFFFAOYSA-N
XLogP2.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1-trifluoro-2-methoxy-3-(methylamino)propan-2-yl]phenol?
The IUPAC name of 2-[1,1,1-trifluoro-2-methoxy-3-(methylamino)propan-2-yl]phenol (CID 84737640) is 2-[1,1,1-trifluoro-2-methoxy-3-(methylamino)propan-2-yl]phenol.
What is the SMILES notation for 2-[1,1,1-trifluoro-2-methoxy-3-(methylamino)propan-2-yl]phenol?
The canonical SMILES for 2-[1,1,1-trifluoro-2-methoxy-3-(methylamino)propan-2-yl]phenol is CNCC(OC)(c1ccccc1O)C(F)(F)F.
What is the InChIKey of 2-[1,1,1-trifluoro-2-methoxy-3-(methylamino)propan-2-yl]phenol?
The InChIKey is ORZSYIQJSQEHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-15-7-10(17-2,11(12,13)14)8-5-3-4-6-9(8)16/h3-6,15-16H,7H2,1-2H3.
What are the key properties of 2-[1,1,1-trifluoro-2-methoxy-3-(methylamino)propan-2-yl]phenol?
2-[1,1,1-trifluoro-2-methoxy-3-(methylamino)propan-2-yl]phenol has a molecular weight of 249.23 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,1-trifluoro-2-methoxy-3-(methylamino)propan-2-yl]phenol is sourced from PubChem (CID 84737640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).