2-hydroxy-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaphospholan-2-ium

C4H7F3O3P+ — CID 173019461

IUPAC2-hydroxy-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaphospholan-2-ium
SMILESO[P+]1(CC(F)(F)F)OCCO1
InChIInChI=1S/C4H7F3O3P/c5-4(6,7)3-11(8)9-1-2-10-11/h8H,1-3H2/q+1
InChIKeyAZGHKNRENVLSCQ-UHFFFAOYSA-N
MW191.06 g/mol
LogP1.35
Rot. Bonds1

About 2-hydroxy-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaphospholan-2-ium

2-hydroxy-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaphospholan-2-ium (PubChem CID 173019461) has the molecular formula C4H7F3O3P+ and a molecular weight of 191.06 g/mol. Its IUPAC name is 2-hydroxy-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaphospholan-2-ium.

Molecular Properties

Compound Name2-hydroxy-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaphospholan-2-ium
PubChem CID173019461
Molecular FormulaC4H7F3O3P+
Molecular Weight191.06 g/mol
Exact Mass191.01
IUPAC Name2-hydroxy-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaphospholan-2-ium
SMILESO[P+]1(CC(F)(F)F)OCCO1
InChIInChI=1S/C4H7F3O3P/c5-4(6,7)3-11(8)9-1-2-10-11/h8H,1-3H2/q+1
InChIKeyAZGHKNRENVLSCQ-UHFFFAOYSA-N
XLogP1.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-2-hydroxy-1,3,2-dioxaphospholan-2-ium
CID 175395071
(2R,3S)-2-(hydroxymethyl)-2-(trifluoromethyl)oxolan-3-ol
CID 155149265
oxirane;1,1,1,2-tetrafluoroethane
CID 121447840
2-[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl]-1,3-dioxolane
CID 170873926
2-(3,3,3-trifluoropropyl)oxan-4-ol
CID 123196737
2-chloro-2-hydroxy-1,3,2-dioxaphosphinan-2-ium
CID 145234011
3,5-bis(2,2,2-trifluoroethyl)cyclohexan-1-ol
CID 172565029
3-(bromomethyl)-1-(trifluoromethyl)cyclobutan-1-ol
CID 146155869
cyclohexanamine;2,2,2-trifluoroethanol
CID 173402481
4-methyl-2-(2,2,2-trifluoroethyl)cyclohexan-1-ol
CID 79423179
4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-ol
CID 162584280
2-(2,2,2-trifluoroethyl)oxirane
CID 2782635

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaphospholan-2-ium?
The IUPAC name of 2-hydroxy-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaphospholan-2-ium (CID 173019461) is 2-hydroxy-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaphospholan-2-ium.
What is the SMILES notation for 2-hydroxy-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaphospholan-2-ium?
The canonical SMILES for 2-hydroxy-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaphospholan-2-ium is O[P+]1(CC(F)(F)F)OCCO1.
What is the InChIKey of 2-hydroxy-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaphospholan-2-ium?
The InChIKey is AZGHKNRENVLSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O3P/c5-4(6,7)3-11(8)9-1-2-10-11/h8H,1-3H2/q+1.
What are the key properties of 2-hydroxy-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaphospholan-2-ium?
2-hydroxy-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaphospholan-2-ium has a molecular weight of 191.06 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2,2,2-trifluoroethyl)-1,3,2-dioxaphospholan-2-ium is sourced from PubChem (CID 173019461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).