(1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol

C19H17FNO2P — CID 101097525

IUPAC(1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol
SMILESO=P(c1ccccc1)(c1ccccc1)[C@H](F)[C@@H](O)c1ccccn1
InChIInChI=1S/C19H17FNO2P/c20-19(18(22)17-13-7-8-14-21-17)24(23,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,18-19,22H/t18-,19-/m0/s1
InChIKeyYSXAPEGYZFEYKU-OALUTQOASA-N
MW341.32 g/mol
LogP3.42
Rot. Bonds5

About (1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol

(1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol (PubChem CID 101097525) has the molecular formula C19H17FNO2P and a molecular weight of 341.32 g/mol. Its IUPAC name is (1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name(1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol
PubChem CID101097525
Molecular FormulaC19H17FNO2P
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name(1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol
SMILESO=P(c1ccccc1)(c1ccccc1)[C@H](F)[C@@H](O)c1ccccn1
InChIInChI=1S/C19H17FNO2P/c20-19(18(22)17-13-7-8-14-21-17)24(23,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,18-19,22H/t18-,19-/m0/s1
InChIKeyYSXAPEGYZFEYKU-OALUTQOASA-N
XLogP3.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(1-diphenylphosphorylethyl)pyridine
CID 15841923
(1S)-2-methyl-1-pyridin-2-ylpropan-1-ol
CID 51670363
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
CID 28766943
N-benzyl-1-diphenylphosphoryl-1-pyridin-2-ylmethanamine
CID 11304062
3,4-dihydroxy-4-pyridin-2-ylbutanoic acid
CID 171877086
2,3-dihydroxy-3-pyridin-2-ylpropanamide
CID 171867575
(3S,4R)-4-hydroxy-3-methyl-4-pyridin-2-ylbutan-2-one
CID 130697576
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
2-diphenylphosphorylpyridine
CID 3496437
[phosphono(pyridin-2-yl)methyl]azanium chloride
CID 10727876
2-(1-fluoroethyl)pyridine;1-pyridin-2-ylethanol
CID 161183941
(1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol
CID 15261007

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol?
The IUPAC name of (1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol (CID 101097525) is (1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol.
What is the SMILES notation for (1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol?
The canonical SMILES for (1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol is O=P(c1ccccc1)(c1ccccc1)[C@H](F)[C@@H](O)c1ccccn1.
What is the InChIKey of (1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol?
The InChIKey is YSXAPEGYZFEYKU-OALUTQOASA-N. The full InChI is InChI=1S/C19H17FNO2P/c20-19(18(22)17-13-7-8-14-21-17)24(23,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,18-19,22H/t18-,19-/m0/s1.
What are the key properties of (1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol?
(1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol has a molecular weight of 341.32 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol is sourced from PubChem (CID 101097525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).