2-amino-4,4-difluoro-1-phenyl-6-pyridin-2-ylhexan-3-ol

C17H20F2N2O — CID 19786817

IUPAC2-amino-4,4-difluoro-1-phenyl-6-pyridin-2-ylhexan-3-ol
SMILESNC(Cc1ccccc1)C(O)C(F)(F)CCc1ccccn1
InChIInChI=1S/C17H20F2N2O/c18-17(19,10-9-14-8-4-5-11-21-14)16(22)15(20)12-13-6-2-1-3-7-13/h1-8,11,15-16,22H,9-10,12,20H2
InChIKeyXODJXEFCCFWLET-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.58
Rot. Bonds7

About 2-amino-4,4-difluoro-1-phenyl-6-pyridin-2-ylhexan-3-ol

2-amino-4,4-difluoro-1-phenyl-6-pyridin-2-ylhexan-3-ol (PubChem CID 19786817) has the molecular formula C17H20F2N2O and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-amino-4,4-difluoro-1-phenyl-6-pyridin-2-ylhexan-3-ol.

Molecular Properties

Compound Name2-amino-4,4-difluoro-1-phenyl-6-pyridin-2-ylhexan-3-ol
PubChem CID19786817
Molecular FormulaC17H20F2N2O
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC Name2-amino-4,4-difluoro-1-phenyl-6-pyridin-2-ylhexan-3-ol
SMILESNC(Cc1ccccc1)C(O)C(F)(F)CCc1ccccn1
InChIInChI=1S/C17H20F2N2O/c18-17(19,10-9-14-8-4-5-11-21-14)16(22)15(20)12-13-6-2-1-3-7-13/h1-8,11,15-16,22H,9-10,12,20H2
InChIKeyXODJXEFCCFWLET-UHFFFAOYSA-N
XLogP2.58
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-difluoro-1-phenyl-6-pyridin-2-ylhexan-3-ol?
The IUPAC name of 2-amino-4,4-difluoro-1-phenyl-6-pyridin-2-ylhexan-3-ol (CID 19786817) is 2-amino-4,4-difluoro-1-phenyl-6-pyridin-2-ylhexan-3-ol.
What is the SMILES notation for 2-amino-4,4-difluoro-1-phenyl-6-pyridin-2-ylhexan-3-ol?
The canonical SMILES for 2-amino-4,4-difluoro-1-phenyl-6-pyridin-2-ylhexan-3-ol is NC(Cc1ccccc1)C(O)C(F)(F)CCc1ccccn1.
What is the InChIKey of 2-amino-4,4-difluoro-1-phenyl-6-pyridin-2-ylhexan-3-ol?
The InChIKey is XODJXEFCCFWLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O/c18-17(19,10-9-14-8-4-5-11-21-14)16(22)15(20)12-13-6-2-1-3-7-13/h1-8,11,15-16,22H,9-10,12,20H2.
What are the key properties of 2-amino-4,4-difluoro-1-phenyl-6-pyridin-2-ylhexan-3-ol?
2-amino-4,4-difluoro-1-phenyl-6-pyridin-2-ylhexan-3-ol has a molecular weight of 306.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-difluoro-1-phenyl-6-pyridin-2-ylhexan-3-ol is sourced from PubChem (CID 19786817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).