1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol

C16H16F3NO — CID 81347558

IUPAC1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol
SMILESC[C@H](NCC(O)c1cc(F)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C16H16F3NO/c1-10(11-2-4-12(17)5-3-11)20-9-16(21)14-8-13(18)6-7-15(14)19/h2-8,10,16,20-21H,9H2,1H3/t10-,16?/m0/s1
InChIKeyKGRFAYCOAWAJMI-VQVVDHBBSA-N
MW295.30 g/mol
LogP3.49
Rot. Bonds5

About 1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol

1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol (PubChem CID 81347558) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol
PubChem CID81347558
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol
SMILESC[C@H](NCC(O)c1cc(F)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C16H16F3NO/c1-10(11-2-4-12(17)5-3-11)20-9-16(21)14-8-13(18)6-7-15(14)19/h2-8,10,16,20-21H,9H2,1H3/t10-,16?/m0/s1
InChIKeyKGRFAYCOAWAJMI-VQVVDHBBSA-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-(2,5-difluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60980572
2-[1-(4-bromophenyl)ethylamino]-1-(2,5-difluorophenyl)ethanol
CID 60979926
1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867817
1-(2-fluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60744888
2-[1-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714730
1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81348797
2-(but-3-yn-2-ylamino)-1-(2,5-difluorophenyl)ethanol
CID 114416982
1-(2,4-difluorophenyl)-2-(1-phenylethylamino)ethanol
CID 60766380
2-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-methylbutan-1-ol
CID 79249000
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol
CID 60909735
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol (CID 81347558) is 1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol is C[C@H](NCC(O)c1cc(F)ccc1F)c1ccc(F)cc1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol?
The InChIKey is KGRFAYCOAWAJMI-VQVVDHBBSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-10(11-2-4-12(17)5-3-11)20-9-16(21)14-8-13(18)6-7-15(14)19/h2-8,10,16,20-21H,9H2,1H3/t10-,16?/m0/s1.
What are the key properties of 1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol?
1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]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-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol is sourced from PubChem (CID 81347558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).