(2S)-2-chloro-6,6-dideuterio-3-[(1R)-1-phenylethyl]-1,3,2lambda5-oxazaphosphinane 2-oxide

C11H15ClNO2P — CID 10587521

IUPAC(2S)-2-chloro-6,6-dideuterio-3-[(1R)-1-phenylethyl]-1,3,2lambda5-oxazaphosphinane 2-oxide
SMILES[2H]C1([2H])CCN([C@H](C)c2ccccc2)[P@@](=O)(Cl)O1
InChIInChI=1S/C11H15ClNO2P/c1-10(11-6-3-2-4-7-11)13-8-5-9-15-16(13,12)14/h2-4,6-7,10H,5,8-9H2,1H3/t10-,16-/m1/s1/i9D2
InChIKeyRTAHEODDAQYTQU-VTONGWONSA-N
MW261.69 g/mol
LogP3.82
Rot. Bonds2

About (2S)-2-chloro-6,6-dideuterio-3-[(1R)-1-phenylethyl]-1,3,2lambda5-oxazaphosphinane 2-oxide

(2S)-2-chloro-6,6-dideuterio-3-[(1R)-1-phenylethyl]-1,3,2lambda5-oxazaphosphinane 2-oxide (PubChem CID 10587521) has the molecular formula C11H15ClNO2P and a molecular weight of 261.69 g/mol. Its IUPAC name is (2S)-2-chloro-6,6-dideuterio-3-[(1R)-1-phenylethyl]-1,3,2lambda5-oxazaphosphinane 2-oxide.

Molecular Properties

Compound Name(2S)-2-chloro-6,6-dideuterio-3-[(1R)-1-phenylethyl]-1,3,2lambda5-oxazaphosphinane 2-oxide
PubChem CID10587521
Molecular FormulaC11H15ClNO2P
Molecular Weight261.69 g/mol
Exact Mass261.07
IUPAC Name(2S)-2-chloro-6,6-dideuterio-3-[(1R)-1-phenylethyl]-1,3,2lambda5-oxazaphosphinane 2-oxide
SMILES[2H]C1([2H])CCN([C@H](C)c2ccccc2)[P@@](=O)(Cl)O1
InChIInChI=1S/C11H15ClNO2P/c1-10(11-6-3-2-4-7-11)13-8-5-9-15-16(13,12)14/h2-4,6-7,10H,5,8-9H2,1H3/t10-,16-/m1/s1/i9D2
InChIKeyRTAHEODDAQYTQU-VTONGWONSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-chloro-6,6-dideuterio-3-[(1R)-1-phenylethyl]-1,3,2lambda5-oxazaphosphinane 2-oxide with MolForge

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Related Compounds

2-chloro-3-(1-phenylethyl)-1,3,2λ5-oxazaphosphinane 2-oxide;1,1-dideuterio-2-[(2,2-dideuterio-2-hydroxy-1,1-ditritioethyl)amino]-2,2-ditritioethanol;1,1-dideuterio-2-[(2,2-dideuterio-2-hydroxy-1,1-ditritioethyl)-[2-oxo-3-(1-phenylethyl)-1,3,2λ5-oxazaphosphinan-2-yl]amino]-2,2-ditritioethanol
CID 158247167
N,N-bis(2-chloro-1,1,2,2-tetradeuterioethyl)-2-oxo-1,3,2λ5-oxazaphosphinan-2-amine;N,N-bis(2-chloro-1,1,2,2-tetradeuterioethyl)-2-oxo-3-(1-phenylethyl)-1,3,2λ5-oxazaphosphinan-2-amine
CID 160866403
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428
(2R)-6,6-dimethyl-3-[(1S)-1-phenylethyl]-2-prop-2-enyl-1,3,2λ5-oxazaphosphinane 2-oxide
CID 10565652
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546242
6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine
CID 15402473
(3R)-3-methyl-1-[(1R)-1-phenylethyl]azepan-2-one
CID 14813890
diphenyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol
CID 124604999

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-6,6-dideuterio-3-[(1R)-1-phenylethyl]-1,3,2lambda5-oxazaphosphinane 2-oxide?
The IUPAC name of (2S)-2-chloro-6,6-dideuterio-3-[(1R)-1-phenylethyl]-1,3,2lambda5-oxazaphosphinane 2-oxide (CID 10587521) is (2S)-2-chloro-6,6-dideuterio-3-[(1R)-1-phenylethyl]-1,3,2lambda5-oxazaphosphinane 2-oxide.
What is the SMILES notation for (2S)-2-chloro-6,6-dideuterio-3-[(1R)-1-phenylethyl]-1,3,2lambda5-oxazaphosphinane 2-oxide?
The canonical SMILES for (2S)-2-chloro-6,6-dideuterio-3-[(1R)-1-phenylethyl]-1,3,2lambda5-oxazaphosphinane 2-oxide is [2H]C1([2H])CCN([C@H](C)c2ccccc2)[P@@](=O)(Cl)O1.
What is the InChIKey of (2S)-2-chloro-6,6-dideuterio-3-[(1R)-1-phenylethyl]-1,3,2lambda5-oxazaphosphinane 2-oxide?
The InChIKey is RTAHEODDAQYTQU-VTONGWONSA-N. The full InChI is InChI=1S/C11H15ClNO2P/c1-10(11-6-3-2-4-7-11)13-8-5-9-15-16(13,12)14/h2-4,6-7,10H,5,8-9H2,1H3/t10-,16-/m1/s1/i9D2.
What are the key properties of (2S)-2-chloro-6,6-dideuterio-3-[(1R)-1-phenylethyl]-1,3,2lambda5-oxazaphosphinane 2-oxide?
(2S)-2-chloro-6,6-dideuterio-3-[(1R)-1-phenylethyl]-1,3,2lambda5-oxazaphosphinane 2-oxide has a molecular weight of 261.69 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-6,6-dideuterio-3-[(1R)-1-phenylethyl]-1,3,2lambda5-oxazaphosphinane 2-oxide is sourced from PubChem (CID 10587521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).