methyl-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]phosphinic acid

C10H9F6O2P — CID 3711905

IUPACmethyl-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]phosphinic acid
SMILESCP(=O)(O)C(c1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C10H9F6O2P/c1-19(17,18)8(10(14,15)16)6-3-2-4-7(5-6)9(11,12)13/h2-5,8H,1H3,(H,17,18)
InChIKeyYJNSIIVVTCZRLR-UHFFFAOYSA-N
MW306.14 g/mol
LogP4.21
Rot. Bonds2

About methyl-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]phosphinic acid

methyl-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]phosphinic acid (PubChem CID 3711905) has the molecular formula C10H9F6O2P and a molecular weight of 306.14 g/mol. Its IUPAC name is methyl-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]phosphinic acid.

Molecular Properties

Compound Namemethyl-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]phosphinic acid
PubChem CID3711905
Molecular FormulaC10H9F6O2P
Molecular Weight306.14 g/mol
Exact Mass306.02
IUPAC Namemethyl-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]phosphinic acid
SMILESCP(=O)(O)C(c1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C10H9F6O2P/c1-19(17,18)8(10(14,15)16)6-3-2-4-7(5-6)9(11,12)13/h2-5,8H,1H3,(H,17,18)
InChIKeyYJNSIIVVTCZRLR-UHFFFAOYSA-N
XLogP4.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methyl-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]phosphinic acid?
The IUPAC name of methyl-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]phosphinic acid (CID 3711905) is methyl-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]phosphinic acid.
What is the SMILES notation for methyl-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]phosphinic acid?
The canonical SMILES for methyl-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]phosphinic acid is CP(=O)(O)C(c1cccc(C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of methyl-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]phosphinic acid?
The InChIKey is YJNSIIVVTCZRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6O2P/c1-19(17,18)8(10(14,15)16)6-3-2-4-7(5-6)9(11,12)13/h2-5,8H,1H3,(H,17,18).
What are the key properties of methyl-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]phosphinic acid?
methyl-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]phosphinic acid has a molecular weight of 306.14 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]phosphinic acid is sourced from PubChem (CID 3711905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).