(2R,4S,5R)-2-[(S)-fluoro(naphthalen-2-yl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide

C21H21FNO2P — CID 10547054

IUPAC(2R,4S,5R)-2-[(S)-fluoro(naphthalen-2-yl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
SMILESC[C@H]1[C@@H](c2ccccc2)O[P@](=O)([C@H](F)c2ccc3ccccc3c2)N1C
InChIInChI=1S/C21H21FNO2P/c1-15-20(17-9-4-3-5-10-17)25-26(24,23(15)2)21(22)19-13-12-16-8-6-7-11-18(16)14-19/h3-15,20-21H,1-2H3/t15-,20-,21-,26+/m0/s1
InChIKeyPDQZPUXXZONLEQ-BZIBFJQFSA-N
MW369.38 g/mol
LogP6.09
Rot. Bonds3

About (2R,4S,5R)-2-[(S)-fluoro(naphthalen-2-yl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide

(2R,4S,5R)-2-[(S)-fluoro(naphthalen-2-yl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide (PubChem CID 10547054) has the molecular formula C21H21FNO2P and a molecular weight of 369.38 g/mol. Its IUPAC name is (2R,4S,5R)-2-[(S)-fluoro(naphthalen-2-yl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide.

Molecular Properties

Compound Name(2R,4S,5R)-2-[(S)-fluoro(naphthalen-2-yl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
PubChem CID10547054
Molecular FormulaC21H21FNO2P
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name(2R,4S,5R)-2-[(S)-fluoro(naphthalen-2-yl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide
SMILESC[C@H]1[C@@H](c2ccccc2)O[P@](=O)([C@H](F)c2ccc3ccccc3c2)N1C
InChIInChI=1S/C21H21FNO2P/c1-15-20(17-9-4-3-5-10-17)25-26(24,23(15)2)21(22)19-13-12-16-8-6-7-11-18(16)14-19/h3-15,20-21H,1-2H3/t15-,20-,21-,26+/m0/s1
InChIKeyPDQZPUXXZONLEQ-BZIBFJQFSA-N
XLogP6.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.38
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-2-[(S)-fluoro(naphthalen-2-yl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The IUPAC name of (2R,4S,5R)-2-[(S)-fluoro(naphthalen-2-yl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide (CID 10547054) is (2R,4S,5R)-2-[(S)-fluoro(naphthalen-2-yl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide.
What is the SMILES notation for (2R,4S,5R)-2-[(S)-fluoro(naphthalen-2-yl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The canonical SMILES for (2R,4S,5R)-2-[(S)-fluoro(naphthalen-2-yl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide is C[C@H]1[C@@H](c2ccccc2)O[P@](=O)([C@H](F)c2ccc3ccccc3c2)N1C.
What is the InChIKey of (2R,4S,5R)-2-[(S)-fluoro(naphthalen-2-yl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
The InChIKey is PDQZPUXXZONLEQ-BZIBFJQFSA-N. The full InChI is InChI=1S/C21H21FNO2P/c1-15-20(17-9-4-3-5-10-17)25-26(24,23(15)2)21(22)19-13-12-16-8-6-7-11-18(16)14-19/h3-15,20-21H,1-2H3/t15-,20-,21-,26+/m0/s1.
What are the key properties of (2R,4S,5R)-2-[(S)-fluoro(naphthalen-2-yl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide?
(2R,4S,5R)-2-[(S)-fluoro(naphthalen-2-yl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide has a molecular weight of 369.38 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-2-[(S)-fluoro(naphthalen-2-yl)methyl]-3,4-dimethyl-5-phenyl-1,3,2λ5-oxazaphospholidine 2-oxide is sourced from PubChem (CID 10547054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).