2-fluoro-2,2-dimethyl-4,4-bis(trifluoromethyl)-1,2λ5-oxaphosphetane

C6H8F7OP — CID 23417169

IUPAC2-fluoro-2,2-dimethyl-4,4-bis(trifluoromethyl)-1,2λ5-oxaphosphetane
SMILESCP1(C)(F)CC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C6H8F7OP/c1-15(2,13)3-4(14-15,5(7,8)9)6(10,11)12/h3H2,1-2H3
InChIKeyRJEWXHBOJJIPGJ-UHFFFAOYSA-N
MW260.09 g/mol
LogP3.49
Rot. Bonds

About 2-fluoro-2,2-dimethyl-4,4-bis(trifluoromethyl)-1,2λ5-oxaphosphetane

2-fluoro-2,2-dimethyl-4,4-bis(trifluoromethyl)-1,2λ5-oxaphosphetane (PubChem CID 23417169) has the molecular formula C6H8F7OP and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-fluoro-2,2-dimethyl-4,4-bis(trifluoromethyl)-1,2λ5-oxaphosphetane.

Molecular Properties

Compound Name2-fluoro-2,2-dimethyl-4,4-bis(trifluoromethyl)-1,2λ5-oxaphosphetane
PubChem CID23417169
Molecular FormulaC6H8F7OP
Molecular Weight260.09 g/mol
Exact Mass260.02
IUPAC Name2-fluoro-2,2-dimethyl-4,4-bis(trifluoromethyl)-1,2λ5-oxaphosphetane
SMILESCP1(C)(F)CC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C6H8F7OP/c1-15(2,13)3-4(14-15,5(7,8)9)6(10,11)12/h3H2,1-2H3
InChIKeyRJEWXHBOJJIPGJ-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,2-dimethyl-4,4-bis(trifluoromethyl)-1,2λ5-oxaphosphetane?
The IUPAC name of 2-fluoro-2,2-dimethyl-4,4-bis(trifluoromethyl)-1,2λ5-oxaphosphetane (CID 23417169) is 2-fluoro-2,2-dimethyl-4,4-bis(trifluoromethyl)-1,2λ5-oxaphosphetane.
What is the SMILES notation for 2-fluoro-2,2-dimethyl-4,4-bis(trifluoromethyl)-1,2λ5-oxaphosphetane?
The canonical SMILES for 2-fluoro-2,2-dimethyl-4,4-bis(trifluoromethyl)-1,2λ5-oxaphosphetane is CP1(C)(F)CC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 2-fluoro-2,2-dimethyl-4,4-bis(trifluoromethyl)-1,2λ5-oxaphosphetane?
The InChIKey is RJEWXHBOJJIPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F7OP/c1-15(2,13)3-4(14-15,5(7,8)9)6(10,11)12/h3H2,1-2H3.
What are the key properties of 2-fluoro-2,2-dimethyl-4,4-bis(trifluoromethyl)-1,2λ5-oxaphosphetane?
2-fluoro-2,2-dimethyl-4,4-bis(trifluoromethyl)-1,2λ5-oxaphosphetane has a molecular weight of 260.09 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,2-dimethyl-4,4-bis(trifluoromethyl)-1,2λ5-oxaphosphetane is sourced from PubChem (CID 23417169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).