[(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-methylphosphinic acid

C9H9ClF3O3P — CID 2249197

IUPAC[(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-methylphosphinic acid
SMILESCP(=O)(O)O[C@H](c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C9H9ClF3O3P/c1-17(14,15)16-8(9(11,12)13)6-3-2-4-7(10)5-6/h2-5,8H,1H3,(H,14,15)/t8-/m1/s1
InChIKeyPREMATQEFWNABR-MRVPVSSYSA-N
MW288.59 g/mol
LogP3.78
Rot. Bonds3

About [(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-methylphosphinic acid

[(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-methylphosphinic acid (PubChem CID 2249197) has the molecular formula C9H9ClF3O3P and a molecular weight of 288.59 g/mol. Its IUPAC name is [(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-methylphosphinic acid.

Molecular Properties

Compound Name[(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-methylphosphinic acid
PubChem CID2249197
Molecular FormulaC9H9ClF3O3P
Molecular Weight288.59 g/mol
Exact Mass287.99
IUPAC Name[(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-methylphosphinic acid
SMILESCP(=O)(O)O[C@H](c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C9H9ClF3O3P/c1-17(14,15)16-8(9(11,12)13)6-3-2-4-7(10)5-6/h2-5,8H,1H3,(H,14,15)/t8-/m1/s1
InChIKeyPREMATQEFWNABR-MRVPVSSYSA-N
XLogP3.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.59
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 58450364
CID 58450364
1-chloro-3-(1,1,1-trifluoropropan-2-yl)benzene
CID 83381765
1-[(1R)-1-[amino(methyl)phosphoryl]oxy-2,2,2-trifluoroethyl]-4-chlorobenzene
CID 11864606
[(3-chlorophenyl)-hydroxymethyl]phosphonic acid
CID 24866948
methyl 2-(3-chlorophenyl)-2-(trifluoromethoxy)acetate
CID 141114689
1-fluoro-4-[methyl-[(1S)-2,2,2-trifluoro-1-phenylethoxy]phosphoryl]oxybenzene
CID 11864620
3-(3-chlorophenyl)-2,2,3-trifluoropropanoic acid
CID 54478502
(3-chlorophenyl)-fluoromethanol
CID 70239224
methyl 2-[(S)-(3-chlorophenyl)-fluoromethyl]prop-2-enoate
CID 125474605
propan-2-yl 2-amino-2-(3-chlorophenyl)acetate
CID 141482559
(2R)-2-(3-chlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 96707876
(3-chlorophenyl)methanediol
CID 20679602

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-methylphosphinic acid?
The IUPAC name of [(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-methylphosphinic acid (CID 2249197) is [(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-methylphosphinic acid.
What is the SMILES notation for [(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-methylphosphinic acid?
The canonical SMILES for [(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-methylphosphinic acid is CP(=O)(O)O[C@H](c1cccc(Cl)c1)C(F)(F)F.
What is the InChIKey of [(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-methylphosphinic acid?
The InChIKey is PREMATQEFWNABR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9ClF3O3P/c1-17(14,15)16-8(9(11,12)13)6-3-2-4-7(10)5-6/h2-5,8H,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of [(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-methylphosphinic acid?
[(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-methylphosphinic acid has a molecular weight of 288.59 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-methylphosphinic acid is sourced from PubChem (CID 2249197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).