2,2-difluoroethyl-diethoxy-hydroxyphosphanium

C6H14F2O3P+ — CID 177308217

IUPAC2,2-difluoroethyl-diethoxy-hydroxyphosphanium
SMILESCCO[P+](O)(CC(F)F)OCC
InChIInChI=1S/C6H14F2O3P/c1-3-10-12(9,11-4-2)5-6(7)8/h6,9H,3-5H2,1-2H3/q+1
InChIKeyDQQYFMNNLVFMMJ-UHFFFAOYSA-N
MW203.14 g/mol
LogP2.08
Rot. Bonds6

About 2,2-difluoroethyl-diethoxy-hydroxyphosphanium

2,2-difluoroethyl-diethoxy-hydroxyphosphanium (PubChem CID 177308217) has the molecular formula C6H14F2O3P+ and a molecular weight of 203.14 g/mol. Its IUPAC name is 2,2-difluoroethyl-diethoxy-hydroxyphosphanium.

Molecular Properties

Compound Name2,2-difluoroethyl-diethoxy-hydroxyphosphanium
PubChem CID177308217
Molecular FormulaC6H14F2O3P+
Molecular Weight203.14 g/mol
Exact Mass203.06
IUPAC Name2,2-difluoroethyl-diethoxy-hydroxyphosphanium
SMILESCCO[P+](O)(CC(F)F)OCC
InChIInChI=1S/C6H14F2O3P/c1-3-10-12(9,11-4-2)5-6(7)8/h6,9H,3-5H2,1-2H3/q+1
InChIKeyDQQYFMNNLVFMMJ-UHFFFAOYSA-N
XLogP2.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 52.08
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-(2,2-difluoroethyl)-1-ethoxypentan-1-ol
CID 134469351
ethyl 2,4,4-trifluorobutanoate
CID 142778166
CID 159597367
CID 159597367
strontium;1-ethoxyethanol;hydride
CID 174472576
2-[2-(2-ethoxypropoxy)propoxy]-1-fluoropropan-1-ol
CID 139754864
1-ethoxyethanol;N-methylmethanamine
CID 18941772
ethanamine;1-ethoxyethanol
CID 20501270
3-ethyl-1,1-difluoropentane
CID 121258317
1-ethoxybutane-1,3-diol
CID 20870845
(2R)-1,1-diethoxy-3-fluoropropan-2-ol
CID 131846513
1-ethoxy-2,2,2-trifluoroethanol
CID 9897
(3R,5R)-heptane-3,5-diol
CID 12641368

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl-diethoxy-hydroxyphosphanium?
The IUPAC name of 2,2-difluoroethyl-diethoxy-hydroxyphosphanium (CID 177308217) is 2,2-difluoroethyl-diethoxy-hydroxyphosphanium.
What is the SMILES notation for 2,2-difluoroethyl-diethoxy-hydroxyphosphanium?
The canonical SMILES for 2,2-difluoroethyl-diethoxy-hydroxyphosphanium is CCO[P+](O)(CC(F)F)OCC.
What is the InChIKey of 2,2-difluoroethyl-diethoxy-hydroxyphosphanium?
The InChIKey is DQQYFMNNLVFMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2O3P/c1-3-10-12(9,11-4-2)5-6(7)8/h6,9H,3-5H2,1-2H3/q+1.
What are the key properties of 2,2-difluoroethyl-diethoxy-hydroxyphosphanium?
2,2-difluoroethyl-diethoxy-hydroxyphosphanium has a molecular weight of 203.14 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl-diethoxy-hydroxyphosphanium is sourced from PubChem (CID 177308217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).