3-amino-2-(2,4-difluorophenyl)-1-(5-ethyl-2-pyridinyl)-1,1-difluoropropan-2-ol

C16H16F4N2O — CID 123481189

IUPAC3-amino-2-(2,4-difluorophenyl)-1-(5-ethyl-2-pyridinyl)-1,1-difluoropropan-2-ol
SMILESCCc1ccc(C(F)(F)C(O)(CN)c2ccc(F)cc2F)nc1
InChIInChI=1S/C16H16F4N2O/c1-2-10-3-6-14(22-8-10)16(19,20)15(23,9-21)12-5-4-11(17)7-13(12)18/h3-8,23H,2,9,21H2,1H3
InChIKeyYTFZDFHBGKWYSY-UHFFFAOYSA-N
MW328.31 g/mol
LogP2.86
Rot. Bonds5

About 3-amino-2-(2,4-difluorophenyl)-1-(5-ethyl-2-pyridinyl)-1,1-difluoropropan-2-ol

3-amino-2-(2,4-difluorophenyl)-1-(5-ethyl-2-pyridinyl)-1,1-difluoropropan-2-ol (PubChem CID 123481189) has the molecular formula C16H16F4N2O and a molecular weight of 328.31 g/mol. Its IUPAC name is 3-amino-2-(2,4-difluorophenyl)-1-(5-ethyl-2-pyridinyl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-amino-2-(2,4-difluorophenyl)-1-(5-ethyl-2-pyridinyl)-1,1-difluoropropan-2-ol
PubChem CID123481189
Molecular FormulaC16H16F4N2O
Molecular Weight328.31 g/mol
Exact Mass328.12
IUPAC Name3-amino-2-(2,4-difluorophenyl)-1-(5-ethyl-2-pyridinyl)-1,1-difluoropropan-2-ol
SMILESCCc1ccc(C(F)(F)C(O)(CN)c2ccc(F)cc2F)nc1
InChIInChI=1S/C16H16F4N2O/c1-2-10-3-6-14(22-8-10)16(19,20)15(23,9-21)12-5-4-11(17)7-13(12)18/h3-8,23H,2,9,21H2,1H3
InChIKeyYTFZDFHBGKWYSY-UHFFFAOYSA-N
XLogP2.86
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

SR2211
CID 51035449
Pirmenol
CID 65502
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CID 223294
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CID 10427620
2-Morpholin-4-yl-1-phenyl-1-pyridin-2-ylethanol
CID 5303332
1,1-Diphenyl-2-(3-pyridinyl)ethanol
CID 238376
Doxylamine alcohol
CID 86883
alpha,alpha-Diphenyl-2-pyridineethanol
CID 234268
Phenyl(pyridin-2-yl)methanol
CID 315585
Pirmenol Hydrochloride
CID 65501
2-Phenyl-1,1-di(pyridin-3-yl)ethanol
CID 46885546
(2-Methylphenyl)(2-pyridinyl)methanol
CID 5143164

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4-difluorophenyl)-1-(5-ethyl-2-pyridinyl)-1,1-difluoropropan-2-ol?
The IUPAC name of 3-amino-2-(2,4-difluorophenyl)-1-(5-ethyl-2-pyridinyl)-1,1-difluoropropan-2-ol (CID 123481189) is 3-amino-2-(2,4-difluorophenyl)-1-(5-ethyl-2-pyridinyl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-amino-2-(2,4-difluorophenyl)-1-(5-ethyl-2-pyridinyl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-amino-2-(2,4-difluorophenyl)-1-(5-ethyl-2-pyridinyl)-1,1-difluoropropan-2-ol is CCc1ccc(C(F)(F)C(O)(CN)c2ccc(F)cc2F)nc1.
What is the InChIKey of 3-amino-2-(2,4-difluorophenyl)-1-(5-ethyl-2-pyridinyl)-1,1-difluoropropan-2-ol?
The InChIKey is YTFZDFHBGKWYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N2O/c1-2-10-3-6-14(22-8-10)16(19,20)15(23,9-21)12-5-4-11(17)7-13(12)18/h3-8,23H,2,9,21H2,1H3.
What are the key properties of 3-amino-2-(2,4-difluorophenyl)-1-(5-ethyl-2-pyridinyl)-1,1-difluoropropan-2-ol?
3-amino-2-(2,4-difluorophenyl)-1-(5-ethyl-2-pyridinyl)-1,1-difluoropropan-2-ol has a molecular weight of 328.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,4-difluorophenyl)-1-(5-ethyl-2-pyridinyl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 123481189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).