2-[difluoro-(1,1,1,2-tetrafluoro-2-methoxy-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane

C14H19F11O2 — CID 89476456

IUPAC2-[difluoro-(1,1,1,2-tetrafluoro-2-methoxy-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
SMILESCCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)(CC)C(F)(OC)C(F)(F)F
InChIInChI=1S/C14H19F11O2/c1-6-8(3,15)10(16,12(18,19)20)14(24,25)27-9(4,7-2)11(17,26-5)13(21,22)23/h6-7H2,1-5H3
InChIKeyXJBPPLNWQMSBMU-UHFFFAOYSA-N
MW428.28 g/mol
LogP6.05
Rot. Bonds8

About 2-[difluoro-(1,1,1,2-tetrafluoro-2-methoxy-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane

2-[difluoro-(1,1,1,2-tetrafluoro-2-methoxy-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane (PubChem CID 89476456) has the molecular formula C14H19F11O2 and a molecular weight of 428.28 g/mol. Its IUPAC name is 2-[difluoro-(1,1,1,2-tetrafluoro-2-methoxy-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane.

Molecular Properties

Compound Name2-[difluoro-(1,1,1,2-tetrafluoro-2-methoxy-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
PubChem CID89476456
Molecular FormulaC14H19F11O2
Molecular Weight428.28 g/mol
Exact Mass428.12
IUPAC Name2-[difluoro-(1,1,1,2-tetrafluoro-2-methoxy-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
SMILESCCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)(CC)C(F)(OC)C(F)(F)F
InChIInChI=1S/C14H19F11O2/c1-6-8(3,15)10(16,12(18,19)20)14(24,25)27-9(4,7-2)11(17,26-5)13(21,22)23/h6-7H2,1-5H3
InChIKeyXJBPPLNWQMSBMU-UHFFFAOYSA-N
XLogP6.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.28
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(1,1,1,2-tetrafluoro-2-methoxy-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
The IUPAC name of 2-[difluoro-(1,1,1,2-tetrafluoro-2-methoxy-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane (CID 89476456) is 2-[difluoro-(1,1,1,2-tetrafluoro-2-methoxy-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane.
What is the SMILES notation for 2-[difluoro-(1,1,1,2-tetrafluoro-2-methoxy-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
The canonical SMILES for 2-[difluoro-(1,1,1,2-tetrafluoro-2-methoxy-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane is CCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)(CC)C(F)(OC)C(F)(F)F.
What is the InChIKey of 2-[difluoro-(1,1,1,2-tetrafluoro-2-methoxy-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
The InChIKey is XJBPPLNWQMSBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F11O2/c1-6-8(3,15)10(16,12(18,19)20)14(24,25)27-9(4,7-2)11(17,26-5)13(21,22)23/h6-7H2,1-5H3.
What are the key properties of 2-[difluoro-(1,1,1,2-tetrafluoro-2-methoxy-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
2-[difluoro-(1,1,1,2-tetrafluoro-2-methoxy-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane has a molecular weight of 428.28 g/mol, XLogP of 6.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(1,1,1,2-tetrafluoro-2-methoxy-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane is sourced from PubChem (CID 89476456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).