(2,2,2-trifluoro-1-phenylethyl)phosphonic acid

C8H8F3O3P — CID 66612434

IUPAC(2,2,2-trifluoro-1-phenylethyl)phosphonic acid
SMILESO=P(O)(O)C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H8F3O3P/c9-8(10,11)7(15(12,13)14)6-4-2-1-3-5-6/h1-5,7H,(H2,12,13,14)
InChIKeyXUAGKQRVKKALGW-UHFFFAOYSA-N
MW240.12 g/mol
LogP2.47
Rot. Bonds2

About (2,2,2-trifluoro-1-phenylethyl)phosphonic acid

(2,2,2-trifluoro-1-phenylethyl)phosphonic acid (PubChem CID 66612434) has the molecular formula C8H8F3O3P and a molecular weight of 240.12 g/mol. Its IUPAC name is (2,2,2-trifluoro-1-phenylethyl)phosphonic acid.

Molecular Properties

Compound Name(2,2,2-trifluoro-1-phenylethyl)phosphonic acid
PubChem CID66612434
Molecular FormulaC8H8F3O3P
Molecular Weight240.12 g/mol
Exact Mass240.02
IUPAC Name(2,2,2-trifluoro-1-phenylethyl)phosphonic acid
SMILESO=P(O)(O)C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H8F3O3P/c9-8(10,11)7(15(12,13)14)6-4-2-1-3-5-6/h1-5,7H,(H2,12,13,14)
InChIKeyXUAGKQRVKKALGW-UHFFFAOYSA-N
XLogP2.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.12
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-ethylphenyl)-2,2,2-trifluoroethyl]phosphonic acid
CID 66796809
[(1R)-2,2,3,3,4,4,4-heptafluoro-1-phenylbutyl]-methylphosphinic acid
CID 7104501
(4,4,4-trifluoro-2-phenylbutyl)phosphonic acid
CID 66797426
(1-hydroxy-2,2-diphenylethyl)phosphonic acid;trifluoromethanesulfonic acid
CID 161423023
[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
[bromo(phenyl)methyl]phosphonic acid
CID 11736830
(2R)-2-phenyl-2-(phosphonomethylamino)acetic acid
CID 10610342
3,3,3-trifluoro-2-phenylpropanoyl bromide
CID 174737113
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
[(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride
CID 138987682
methyl-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]phosphinic acid
CID 3711905
diphenylmethanamine;phosphoric acid
CID 67153031

Frequently Asked Questions

What is the IUPAC name of (2,2,2-trifluoro-1-phenylethyl)phosphonic acid?
The IUPAC name of (2,2,2-trifluoro-1-phenylethyl)phosphonic acid (CID 66612434) is (2,2,2-trifluoro-1-phenylethyl)phosphonic acid.
What is the SMILES notation for (2,2,2-trifluoro-1-phenylethyl)phosphonic acid?
The canonical SMILES for (2,2,2-trifluoro-1-phenylethyl)phosphonic acid is O=P(O)(O)C(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2,2,2-trifluoro-1-phenylethyl)phosphonic acid?
The InChIKey is XUAGKQRVKKALGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3O3P/c9-8(10,11)7(15(12,13)14)6-4-2-1-3-5-6/h1-5,7H,(H2,12,13,14).
What are the key properties of (2,2,2-trifluoro-1-phenylethyl)phosphonic acid?
(2,2,2-trifluoro-1-phenylethyl)phosphonic acid has a molecular weight of 240.12 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,2-trifluoro-1-phenylethyl)phosphonic acid is sourced from PubChem (CID 66612434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).