[(1R)-2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl]-methylphosphinic acid

C11H10F7O2P — CID 7104501

IUPAC[(1R)-2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl]-methylphosphinic acid
SMILESCP(=O)(O)[C@H](c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F7O2P/c1-21(19,20)8(7-5-3-2-4-6-7)9(12,13)10(14,15)11(16,17)18/h2-6,8H,1H3,(H,19,20)/t8-/m1/s1
InChIKeyRWLFWCSRVOCWFZ-MRVPVSSYSA-N
MW338.16 g/mol
LogP4.46
Rot. Bonds4

About [(1R)-2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl]-methylphosphinic acid

[(1R)-2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl]-methylphosphinic acid (PubChem CID 7104501) has the molecular formula C11H10F7O2P and a molecular weight of 338.16 g/mol. Its IUPAC name is [(1R)-2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl]-methylphosphinic acid.

Molecular Properties

Compound Name[(1R)-2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl]-methylphosphinic acid
PubChem CID7104501
Molecular FormulaC11H10F7O2P
Molecular Weight338.16 g/mol
Exact Mass338.03
IUPAC Name[(1R)-2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl]-methylphosphinic acid
SMILESCP(=O)(O)[C@H](c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F7O2P/c1-21(19,20)8(7-5-3-2-4-6-7)9(12,13)10(14,15)11(16,17)18/h2-6,8H,1H3,(H,19,20)/t8-/m1/s1
InChIKeyRWLFWCSRVOCWFZ-MRVPVSSYSA-N
XLogP4.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,2,2-trifluoro-1-phenylethyl)phosphonic acid
CID 66612434
methyl-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]phosphinic acid
CID 3711905
4,4,5,5,6,6,6-heptafluorohexan-3-ylbenzene
CID 174807736
dimethylphosphoryl(phenyl)methanol
CID 58658737
3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one
CID 101051486
(1-hydroxy-2,2-diphenylethyl)phosphonic acid;trifluoromethanesulfonic acid
CID 161423023
[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
(2,2,3,3,3-pentafluoro-1-phenylpropyl)carbamic acid
CID 57302331
phenyl-(2,2,3,3-tetrafluoro-1-phenylbutoxy)phosphinic acid
CID 58071529
2,2,3,3,4,4,4-heptafluorobutyl 2,2-diphenylacetate
CID 4086856
bis[(1R)-2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentyl] phenyl phosphate
CID 99683434
methyl(1-phenylethoxy)phosphinic acid
CID 154330211

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl]-methylphosphinic acid?
The IUPAC name of [(1R)-2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl]-methylphosphinic acid (CID 7104501) is [(1R)-2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl]-methylphosphinic acid.
What is the SMILES notation for [(1R)-2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl]-methylphosphinic acid?
The canonical SMILES for [(1R)-2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl]-methylphosphinic acid is CP(=O)(O)[C@H](c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of [(1R)-2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl]-methylphosphinic acid?
The InChIKey is RWLFWCSRVOCWFZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H10F7O2P/c1-21(19,20)8(7-5-3-2-4-6-7)9(12,13)10(14,15)11(16,17)18/h2-6,8H,1H3,(H,19,20)/t8-/m1/s1.
What are the key properties of [(1R)-2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl]-methylphosphinic acid?
[(1R)-2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl]-methylphosphinic acid has a molecular weight of 338.16 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl]-methylphosphinic acid is sourced from PubChem (CID 7104501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).