[1-(2-ethylphenyl)-2,2,2-trifluoroethyl]phosphonic acid

C10H12F3O3P — CID 66796809

IUPAC[1-(2-ethylphenyl)-2,2,2-trifluoroethyl]phosphonic acid
SMILESCCc1ccccc1C(C(F)(F)F)P(=O)(O)O
InChIInChI=1S/C10H12F3O3P/c1-2-7-5-3-4-6-8(7)9(10(11,12)13)17(14,15)16/h3-6,9H,2H2,1H3,(H2,14,15,16)
InChIKeyYUQYLJKJNGOLJU-UHFFFAOYSA-N
MW268.17 g/mol
LogP3.03
Rot. Bonds3

About [1-(2-ethylphenyl)-2,2,2-trifluoroethyl]phosphonic acid

[1-(2-ethylphenyl)-2,2,2-trifluoroethyl]phosphonic acid (PubChem CID 66796809) has the molecular formula C10H12F3O3P and a molecular weight of 268.17 g/mol. Its IUPAC name is [1-(2-ethylphenyl)-2,2,2-trifluoroethyl]phosphonic acid.

Molecular Properties

Compound Name[1-(2-ethylphenyl)-2,2,2-trifluoroethyl]phosphonic acid
PubChem CID66796809
Molecular FormulaC10H12F3O3P
Molecular Weight268.17 g/mol
Exact Mass268.05
IUPAC Name[1-(2-ethylphenyl)-2,2,2-trifluoroethyl]phosphonic acid
SMILESCCc1ccccc1C(C(F)(F)F)P(=O)(O)O
InChIInChI=1S/C10H12F3O3P/c1-2-7-5-3-4-6-8(7)9(10(11,12)13)17(14,15)16/h3-6,9H,2H2,1H3,(H2,14,15,16)
InChIKeyYUQYLJKJNGOLJU-UHFFFAOYSA-N
XLogP3.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 53.03
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

2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid
CID 83824014
(2,2,2-trifluoro-1-phenylethyl)phosphonic acid
CID 66612434
(2-ethylphenyl)methylphosphonic acid
CID 70598773
2-(2-ethylphenyl)-2-fluoroacetic acid
CID 105425429
2-(2-ethylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 55067068
ethanol;1-(2-ethylphenyl)ethanol
CID 174807968
trichloro-[2-(2-ethylphenyl)propyl]silane
CID 69460492
1-[(R)-chloro(phenyl)methyl]-2-ethylbenzene
CID 124596651
1-amino-1-(2-ethylphenyl)propan-2-one
CID 55294273
1-(2-ethylphenyl)-3-methylbutan-1-ol
CID 63901974
1-bromo-1-(2-ethylphenyl)propan-2-one
CID 130785743
1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine
CID 114211088

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylphenyl)-2,2,2-trifluoroethyl]phosphonic acid?
The IUPAC name of [1-(2-ethylphenyl)-2,2,2-trifluoroethyl]phosphonic acid (CID 66796809) is [1-(2-ethylphenyl)-2,2,2-trifluoroethyl]phosphonic acid.
What is the SMILES notation for [1-(2-ethylphenyl)-2,2,2-trifluoroethyl]phosphonic acid?
The canonical SMILES for [1-(2-ethylphenyl)-2,2,2-trifluoroethyl]phosphonic acid is CCc1ccccc1C(C(F)(F)F)P(=O)(O)O.
What is the InChIKey of [1-(2-ethylphenyl)-2,2,2-trifluoroethyl]phosphonic acid?
The InChIKey is YUQYLJKJNGOLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3O3P/c1-2-7-5-3-4-6-8(7)9(10(11,12)13)17(14,15)16/h3-6,9H,2H2,1H3,(H2,14,15,16).
What are the key properties of [1-(2-ethylphenyl)-2,2,2-trifluoroethyl]phosphonic acid?
[1-(2-ethylphenyl)-2,2,2-trifluoroethyl]phosphonic acid has a molecular weight of 268.17 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylphenyl)-2,2,2-trifluoroethyl]phosphonic acid is sourced from PubChem (CID 66796809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).