(3,4-difluoro-2,3-dimethylpentan-2-yl) (3-fluoro-2,3-dimethylbutan-2-yl) carbonate

C14H25F3O3 — CID 59289683

IUPAC(3,4-difluoro-2,3-dimethylpentan-2-yl) (3-fluoro-2,3-dimethylbutan-2-yl) carbonate
SMILESCC(F)C(C)(F)C(C)(C)OC(=O)OC(C)(C)C(C)(C)F
InChIInChI=1S/C14H25F3O3/c1-9(15)14(8,17)13(6,7)20-10(18)19-12(4,5)11(2,3)16/h9H,1-8H3
InChIKeyCCUHONRCGXQFHO-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.53
Rot. Bonds5

About (3,4-difluoro-2,3-dimethylpentan-2-yl) (3-fluoro-2,3-dimethylbutan-2-yl) carbonate

(3,4-difluoro-2,3-dimethylpentan-2-yl) (3-fluoro-2,3-dimethylbutan-2-yl) carbonate (PubChem CID 59289683) has the molecular formula C14H25F3O3 and a molecular weight of 298.35 g/mol. Its IUPAC name is (3,4-difluoro-2,3-dimethylpentan-2-yl) (3-fluoro-2,3-dimethylbutan-2-yl) carbonate.

Molecular Properties

Compound Name(3,4-difluoro-2,3-dimethylpentan-2-yl) (3-fluoro-2,3-dimethylbutan-2-yl) carbonate
PubChem CID59289683
Molecular FormulaC14H25F3O3
Molecular Weight298.35 g/mol
Exact Mass298.18
IUPAC Name(3,4-difluoro-2,3-dimethylpentan-2-yl) (3-fluoro-2,3-dimethylbutan-2-yl) carbonate
SMILESCC(F)C(C)(F)C(C)(C)OC(=O)OC(C)(C)C(C)(C)F
InChIInChI=1S/C14H25F3O3/c1-9(15)14(8,17)13(6,7)20-10(18)19-12(4,5)11(2,3)16/h9H,1-8H3
InChIKeyCCUHONRCGXQFHO-UHFFFAOYSA-N
XLogP4.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluoro-2,3-dimethylpentan-2-yl) (3-fluoro-2,3-dimethylbutan-2-yl) carbonate?
The IUPAC name of (3,4-difluoro-2,3-dimethylpentan-2-yl) (3-fluoro-2,3-dimethylbutan-2-yl) carbonate (CID 59289683) is (3,4-difluoro-2,3-dimethylpentan-2-yl) (3-fluoro-2,3-dimethylbutan-2-yl) carbonate.
What is the SMILES notation for (3,4-difluoro-2,3-dimethylpentan-2-yl) (3-fluoro-2,3-dimethylbutan-2-yl) carbonate?
The canonical SMILES for (3,4-difluoro-2,3-dimethylpentan-2-yl) (3-fluoro-2,3-dimethylbutan-2-yl) carbonate is CC(F)C(C)(F)C(C)(C)OC(=O)OC(C)(C)C(C)(C)F.
What is the InChIKey of (3,4-difluoro-2,3-dimethylpentan-2-yl) (3-fluoro-2,3-dimethylbutan-2-yl) carbonate?
The InChIKey is CCUHONRCGXQFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3O3/c1-9(15)14(8,17)13(6,7)20-10(18)19-12(4,5)11(2,3)16/h9H,1-8H3.
What are the key properties of (3,4-difluoro-2,3-dimethylpentan-2-yl) (3-fluoro-2,3-dimethylbutan-2-yl) carbonate?
(3,4-difluoro-2,3-dimethylpentan-2-yl) (3-fluoro-2,3-dimethylbutan-2-yl) carbonate has a molecular weight of 298.35 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluoro-2,3-dimethylpentan-2-yl) (3-fluoro-2,3-dimethylbutan-2-yl) carbonate is sourced from PubChem (CID 59289683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).