1-(2,4-difluorophenyl)-2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]ethanol

C17H19F3N2O — CID 25115929

IUPAC1-(2,4-difluorophenyl)-2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]ethanol
SMILESCC(CCc1ccc(F)nc1)NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C17H19F3N2O/c1-11(2-3-12-4-7-17(20)22-9-12)21-10-16(23)14-6-5-13(18)8-15(14)19/h4-9,11,16,21,23H,2-3,10H2,1H3
InChIKeyGRFWDUFTAQNUKX-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.14
Rot. Bonds7

About 1-(2,4-difluorophenyl)-2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]ethanol

1-(2,4-difluorophenyl)-2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]ethanol (PubChem CID 25115929) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]ethanol
PubChem CID25115929
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name1-(2,4-difluorophenyl)-2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]ethanol
SMILESCC(CCc1ccc(F)nc1)NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C17H19F3N2O/c1-11(2-3-12-4-7-17(20)22-9-12)21-10-16(23)14-6-5-13(18)8-15(14)19/h4-9,11,16,21,23H,2-3,10H2,1H3
InChIKeyGRFWDUFTAQNUKX-UHFFFAOYSA-N
XLogP3.14
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]ethanol (CID 25115929) is 1-(2,4-difluorophenyl)-2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]ethanol is CC(CCc1ccc(F)nc1)NCC(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]ethanol?
The InChIKey is GRFWDUFTAQNUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O/c1-11(2-3-12-4-7-17(20)22-9-12)21-10-16(23)14-6-5-13(18)8-15(14)19/h4-9,11,16,21,23H,2-3,10H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]ethanol?
1-(2,4-difluorophenyl)-2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]ethanol has a molecular weight of 324.35 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[4-(6-fluoro-3-pyridinyl)butan-2-ylamino]ethanol is sourced from PubChem (CID 25115929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).