4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol

C11H17FNO4P — CID 171192048

IUPAC4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol
SMILESCCOP(=O)(OCC)[C@@H](N)c1ccc(O)c(F)c1
InChIInChI=1S/C11H17FNO4P/c1-3-16-18(15,17-4-2)11(13)8-5-6-10(14)9(12)7-8/h5-7,11,14H,3-4,13H2,1-2H3/t11-/m1/s1
InChIKeyLLKSLFGJYJWLOK-LLVKDONJSA-N
MW277.23 g/mol
LogP2.75
Rot. Bonds6

About 4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol

4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol (PubChem CID 171192048) has the molecular formula C11H17FNO4P and a molecular weight of 277.23 g/mol. Its IUPAC name is 4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol
PubChem CID171192048
Molecular FormulaC11H17FNO4P
Molecular Weight277.23 g/mol
Exact Mass277.09
IUPAC Name4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol
SMILESCCOP(=O)(OCC)[C@@H](N)c1ccc(O)c(F)c1
InChIInChI=1S/C11H17FNO4P/c1-3-16-18(15,17-4-2)11(13)8-5-6-10(14)9(12)7-8/h5-7,11,14H,3-4,13H2,1-2H3/t11-/m1/s1
InChIKeyLLKSLFGJYJWLOK-LLVKDONJSA-N
XLogP2.75
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine
CID 171192177
4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol
CID 102231282
4-[(R)-amino(diethoxyphosphoryl)methyl]-2-nitrophenol
CID 171192076
(R)-diethoxyphosphoryl-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine
CID 171192259
(R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine
CID 2313111
4-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol
CID 171191642
(S)-diethoxyphosphoryl-(4-iodophenyl)methanamine
CID 171191723
(R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine
CID 171192335
(R)-diethoxyphosphoryl-[4-(trifluoromethyl)phenyl]methanamine
CID 171192056
2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol
CID 13147086
2-[(S)-amino(diethoxyphosphoryl)methyl]phenol
CID 171191680
(S)-diethoxyphosphoryl-(2,5-difluorophenyl)methanamine
CID 171191756

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol?
The IUPAC name of 4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol (CID 171192048) is 4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol.
What is the SMILES notation for 4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol?
The canonical SMILES for 4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol is CCOP(=O)(OCC)[C@@H](N)c1ccc(O)c(F)c1.
What is the InChIKey of 4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol?
The InChIKey is LLKSLFGJYJWLOK-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17FNO4P/c1-3-16-18(15,17-4-2)11(13)8-5-6-10(14)9(12)7-8/h5-7,11,14H,3-4,13H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol?
4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol has a molecular weight of 277.23 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol is sourced from PubChem (CID 171192048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).