2-(2-fluoroethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane

C7H14FO3P — CID 534747

IUPAC2-(2-fluoroethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
SMILESCC1(C)COP(OCCF)OC1
InChIInChI=1S/C7H14FO3P/c1-7(2)5-10-12(11-6-7)9-4-3-8/h3-6H2,1-2H3
InChIKeyKLIWQZZQNQSMJP-UHFFFAOYSA-N
MW196.16 g/mol
LogP2.27
Rot. Bonds3

About 2-(2-fluoroethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane

2-(2-fluoroethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane (PubChem CID 534747) has the molecular formula C7H14FO3P and a molecular weight of 196.16 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
PubChem CID534747
Molecular FormulaC7H14FO3P
Molecular Weight196.16 g/mol
Exact Mass196.07
IUPAC Name2-(2-fluoroethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
SMILESCC1(C)COP(OCCF)OC1
InChIInChI=1S/C7H14FO3P/c1-7(2)5-10-12(11-6-7)9-4-3-8/h3-6H2,1-2H3
InChIKeyKLIWQZZQNQSMJP-UHFFFAOYSA-N
XLogP2.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,2-Dioxaphosphorinane, 2-chloro-5,5-dimethyl-
CID 75508
1,3,2-Dioxaphosphorinane, 5,5-dimethyl-, 2-oxide
CID 6335186
1,3,2-Dioxaphosphorinane, 2-methoxy-5,5-dimethyl-
CID 70500
1,3,2-Dioxaphosphorinane, 2-ethoxy-5,5-dimethyl-
CID 70512
1,3,2-Dioxaphosphorinane, 2-mercapto-5,5-dimethyl-, 2-sulfide
CID 414926
2-Chloro-2-thioxo-5,5-dimethyl-1,3,2-dioxaphosphorinane
CID 12607644
5,5-Dimethyl-1,3,2-dioxaphosphorinane
CID 12730249
5,5-Dimethyl-2-(2,2,2-trifluoroethoxy)-1,3,2-dioxaphosphinane
CID 334809
2-Fluoro-2-oxo-5,5-dimethyl-1,3,2-dioxaphosphorinane
CID 5256276
2,5,5-Trimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 13608487
2-Chloro-5,5-dimethyl-2-selanylidene-1,3,2lambda5-dioxaphosphinane
CID 15621921
2-Chloro-2-oxy-5,5-dimethyl-1,3,2-dioxaphosphorinane
CID 87522037

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane?
The IUPAC name of 2-(2-fluoroethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane (CID 534747) is 2-(2-fluoroethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane.
What is the SMILES notation for 2-(2-fluoroethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane?
The canonical SMILES for 2-(2-fluoroethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane is CC1(C)COP(OCCF)OC1.
What is the InChIKey of 2-(2-fluoroethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane?
The InChIKey is KLIWQZZQNQSMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FO3P/c1-7(2)5-10-12(11-6-7)9-4-3-8/h3-6H2,1-2H3.
What are the key properties of 2-(2-fluoroethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane?
2-(2-fluoroethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane has a molecular weight of 196.16 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane is sourced from PubChem (CID 534747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).