2-[[2-(difluoromethoxy)phenyl]methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol

C17H16F5NO2 — CID 23647922

IUPAC2-[[2-(difluoromethoxy)phenyl]methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNCc1ccccc1OC(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F5NO2/c18-16(19)25-15-7-2-1-4-12(15)9-23-10-14(24)11-5-3-6-13(8-11)17(20,21)22/h1-8,14,16,23-24H,9-10H2
InChIKeyMMKZAICYSVWBPW-UHFFFAOYSA-N
MW361.31 g/mol
LogP4.13
Rot. Bonds7

About 2-[[2-(difluoromethoxy)phenyl]methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol

2-[[2-(difluoromethoxy)phenyl]methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 23647922) has the molecular formula C17H16F5NO2 and a molecular weight of 361.31 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)phenyl]methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)phenyl]methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID23647922
Molecular FormulaC17H16F5NO2
Molecular Weight361.31 g/mol
Exact Mass361.11
IUPAC Name2-[[2-(difluoromethoxy)phenyl]methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNCc1ccccc1OC(F)F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F5NO2/c18-16(19)25-15-7-2-1-4-12(15)9-23-10-14(24)11-5-3-6-13(8-11)17(20,21)22/h1-8,14,16,23-24H,9-10H2
InChIKeyMMKZAICYSVWBPW-UHFFFAOYSA-N
XLogP4.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol (CID 23647922) is 2-[[2-(difluoromethoxy)phenyl]methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[[2-(difluoromethoxy)phenyl]methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[[2-(difluoromethoxy)phenyl]methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is OC(CNCc1ccccc1OC(F)F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[2-(difluoromethoxy)phenyl]methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is MMKZAICYSVWBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F5NO2/c18-16(19)25-15-7-2-1-4-12(15)9-23-10-14(24)11-5-3-6-13(8-11)17(20,21)22/h1-8,14,16,23-24H,9-10H2.
What are the key properties of 2-[[2-(difluoromethoxy)phenyl]methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol?
2-[[2-(difluoromethoxy)phenyl]methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 361.31 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)phenyl]methylamino]-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 23647922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).