1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol

C16H16F3NO — CID 60979791

IUPAC1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
SMILESCC(NCC(O)c1c(F)cccc1F)c1ccccc1F
InChIInChI=1S/C16H16F3NO/c1-10(11-5-2-3-6-12(11)17)20-9-15(21)16-13(18)7-4-8-14(16)19/h2-8,10,15,20-21H,9H2,1H3
InChIKeyGGNLIVWIBXZADH-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.49
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol

1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol (PubChem CID 60979791) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
PubChem CID60979791
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
SMILESCC(NCC(O)c1c(F)cccc1F)c1ccccc1F
InChIInChI=1S/C16H16F3NO/c1-10(11-5-2-3-6-12(11)17)20-9-15(21)16-13(18)7-4-8-14(16)19/h2-8,10,15,20-21H,9H2,1H3
InChIKeyGGNLIVWIBXZADH-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953069
1-(2-chlorophenyl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanol
CID 81380433
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol
CID 81379720
3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol
CID 60632523
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol
CID 81356349
2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966130
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)propanamide
CID 111451334
4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-hydroxybutanoic acid
CID 103257457
1-(2-fluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60744888
1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol
CID 54964766
2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine
CID 60664124
1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol
CID 43499407

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol (CID 60979791) is 1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol is CC(NCC(O)c1c(F)cccc1F)c1ccccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol?
The InChIKey is GGNLIVWIBXZADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-10(11-5-2-3-6-12(11)17)20-9-15(21)16-13(18)7-4-8-14(16)19/h2-8,10,15,20-21H,9H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol?
1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol has a molecular weight of 295.30 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol is sourced from PubChem (CID 60979791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).