1-[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]-2-methylbutane

C12H15F9O2 — CID 21052206

IUPAC1-[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]-2-methylbutane
SMILESC=C(F)C(F)(F)OC(F)(F)C(F)(COCC(C)CC)C(F)(F)F
InChIInChI=1S/C12H15F9O2/c1-4-7(2)5-22-6-9(14,11(17,18)19)12(20,21)23-10(15,16)8(3)13/h7H,3-6H2,1-2H3
InChIKeyBVELZYRRDGENSV-UHFFFAOYSA-N
MW362.23 g/mol
LogP5.01
Rot. Bonds9

About 1-[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]-2-methylbutane

1-[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]-2-methylbutane (PubChem CID 21052206) has the molecular formula C12H15F9O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 1-[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]-2-methylbutane.

Molecular Properties

Compound Name1-[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]-2-methylbutane
PubChem CID21052206
Molecular FormulaC12H15F9O2
Molecular Weight362.23 g/mol
Exact Mass362.09
IUPAC Name1-[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]-2-methylbutane
SMILESC=C(F)C(F)(F)OC(F)(F)C(F)(COCC(C)CC)C(F)(F)F
InChIInChI=1S/C12H15F9O2/c1-4-7(2)5-22-6-9(14,11(17,18)19)12(20,21)23-10(15,16)8(3)13/h7H,3-6H2,1-2H3
InChIKeyBVELZYRRDGENSV-UHFFFAOYSA-N
XLogP5.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.23
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]-2-methylbutane?
The IUPAC name of 1-[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]-2-methylbutane (CID 21052206) is 1-[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]-2-methylbutane.
What is the SMILES notation for 1-[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]-2-methylbutane?
The canonical SMILES for 1-[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]-2-methylbutane is C=C(F)C(F)(F)OC(F)(F)C(F)(COCC(C)CC)C(F)(F)F.
What is the InChIKey of 1-[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]-2-methylbutane?
The InChIKey is BVELZYRRDGENSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F9O2/c1-4-7(2)5-22-6-9(14,11(17,18)19)12(20,21)23-10(15,16)8(3)13/h7H,3-6H2,1-2H3.
What are the key properties of 1-[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]-2-methylbutane?
1-[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]-2-methylbutane has a molecular weight of 362.23 g/mol, XLogP of 5.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]-2-methylbutane is sourced from PubChem (CID 21052206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).