4-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol

C11H17FNO4P — CID 171191642

IUPAC4-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol
SMILESCCOP(=O)(OCC)[C@H](N)c1ccc(O)cc1F
InChIInChI=1S/C11H17FNO4P/c1-3-16-18(15,17-4-2)11(13)9-6-5-8(14)7-10(9)12/h5-7,11,14H,3-4,13H2,1-2H3/t11-/m0/s1
InChIKeyPLFUTJLCNRYFLR-NSHDSACASA-N
MW277.23 g/mol
LogP2.75
Rot. Bonds6

About 4-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol

4-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol (PubChem CID 171191642) has the molecular formula C11H17FNO4P and a molecular weight of 277.23 g/mol. Its IUPAC name is 4-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol
PubChem CID171191642
Molecular FormulaC11H17FNO4P
Molecular Weight277.23 g/mol
Exact Mass277.09
IUPAC Name4-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol
SMILESCCOP(=O)(OCC)[C@H](N)c1ccc(O)cc1F
InChIInChI=1S/C11H17FNO4P/c1-3-16-18(15,17-4-2)11(13)9-6-5-8(14)7-10(9)12/h5-7,11,14H,3-4,13H2,1-2H3/t11-/m0/s1
InChIKeyPLFUTJLCNRYFLR-NSHDSACASA-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

4-[(R)-amino(diethoxyphosphoryl)methyl]-3-methoxyphenol
CID 171192094
(S)-diethoxyphosphoryl-(2,5-difluorophenyl)methanamine
CID 171191756
(S)-diethoxyphosphoryl-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 171191962
2-[(S)-amino(diethoxyphosphoryl)methyl]phenol
CID 171191680
(S)-diethoxyphosphoryl-(2,3,5-trifluorophenyl)methanamine
CID 171191781
(S)-diethoxyphosphoryl-(2,3-difluorophenyl)methanamine
CID 171191753
2-[(R)-amino(diethoxyphosphoryl)methyl]-4-fluoro-6-methylphenol
CID 171192202
(S)-diethoxyphosphoryl-(2-fluoro-5-methoxyphenyl)methanamine
CID 171191866
(S)-(2-chloro-5-fluorophenyl)-diethoxyphosphorylmethanamine
CID 171191766
(S)-(2-bromo-5-fluorophenyl)-diethoxyphosphorylmethanamine
CID 171191718
4-(1-amino-2-methoxyethyl)-3-fluorophenol
CID 55273323
2-[(R)-amino(diethoxyphosphoryl)methyl]-4-methoxyphenol
CID 171192137

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol?
The IUPAC name of 4-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol (CID 171191642) is 4-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol.
What is the SMILES notation for 4-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol?
The canonical SMILES for 4-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol is CCOP(=O)(OCC)[C@H](N)c1ccc(O)cc1F.
What is the InChIKey of 4-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol?
The InChIKey is PLFUTJLCNRYFLR-NSHDSACASA-N. The full InChI is InChI=1S/C11H17FNO4P/c1-3-16-18(15,17-4-2)11(13)9-6-5-8(14)7-10(9)12/h5-7,11,14H,3-4,13H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol?
4-[(S)-amino(diethoxyphosphoryl)methyl]-3-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-[(S)-amino(diethoxyphosphoryl)methyl]-3-fluorophenol is sourced from PubChem (CID 171191642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).