2-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol

C18H17F4NO2 — CID 167797409

IUPAC2-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNC1COc2ccc(F)cc2C1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F4NO2/c19-12-5-6-17-11(7-12)8-13(10-25-17)23-9-16(24)14-3-1-2-4-15(14)18(20,21)22/h1-7,13,16,23-24H,8-10H2
InChIKeyLMPKJQFUGFLRQP-UHFFFAOYSA-N
MW355.33 g/mol
LogP3.47
Rot. Bonds4

About 2-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol

2-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 167797409) has the molecular formula C18H17F4NO2 and a molecular weight of 355.33 g/mol. Its IUPAC name is 2-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID167797409
Molecular FormulaC18H17F4NO2
Molecular Weight355.33 g/mol
Exact Mass355.12
IUPAC Name2-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNC1COc2ccc(F)cc2C1)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F4NO2/c19-12-5-6-17-11(7-12)8-13(10-25-17)23-9-16(24)14-3-1-2-4-15(14)18(20,21)22/h1-7,13,16,23-24H,8-10H2
InChIKeyLMPKJQFUGFLRQP-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol (CID 167797409) is 2-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol is OC(CNC1COc2ccc(F)cc2C1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is LMPKJQFUGFLRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4NO2/c19-12-5-6-17-11(7-12)8-13(10-25-17)23-9-16(24)14-3-1-2-4-15(14)18(20,21)22/h1-7,13,16,23-24H,8-10H2.
What are the key properties of 2-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol?
2-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 355.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 167797409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).