(3,4-difluoro-3-methylpentan-2-yl) propan-2-yl carbonate

C10H18F2O3 — CID 59289688

IUPAC(3,4-difluoro-3-methylpentan-2-yl) propan-2-yl carbonate
SMILESCC(C)OC(=O)OC(C)C(C)(F)C(C)F
InChIInChI=1S/C10H18F2O3/c1-6(2)14-9(13)15-8(4)10(5,12)7(3)11/h6-8H,1-5H3
InChIKeyVQCIRPYNQRBTGY-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.02
Rot. Bonds4

About (3,4-difluoro-3-methylpentan-2-yl) propan-2-yl carbonate

(3,4-difluoro-3-methylpentan-2-yl) propan-2-yl carbonate (PubChem CID 59289688) has the molecular formula C10H18F2O3 and a molecular weight of 224.25 g/mol. Its IUPAC name is (3,4-difluoro-3-methylpentan-2-yl) propan-2-yl carbonate.

Molecular Properties

Compound Name(3,4-difluoro-3-methylpentan-2-yl) propan-2-yl carbonate
PubChem CID59289688
Molecular FormulaC10H18F2O3
Molecular Weight224.25 g/mol
Exact Mass224.12
IUPAC Name(3,4-difluoro-3-methylpentan-2-yl) propan-2-yl carbonate
SMILESCC(C)OC(=O)OC(C)C(C)(F)C(C)F
InChIInChI=1S/C10H18F2O3/c1-6(2)14-9(13)15-8(4)10(5,12)7(3)11/h6-8H,1-5H3
InChIKeyVQCIRPYNQRBTGY-UHFFFAOYSA-N
XLogP3.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluoro-3-methylpentan-2-yl) propan-2-yl carbonate?
The IUPAC name of (3,4-difluoro-3-methylpentan-2-yl) propan-2-yl carbonate (CID 59289688) is (3,4-difluoro-3-methylpentan-2-yl) propan-2-yl carbonate.
What is the SMILES notation for (3,4-difluoro-3-methylpentan-2-yl) propan-2-yl carbonate?
The canonical SMILES for (3,4-difluoro-3-methylpentan-2-yl) propan-2-yl carbonate is CC(C)OC(=O)OC(C)C(C)(F)C(C)F.
What is the InChIKey of (3,4-difluoro-3-methylpentan-2-yl) propan-2-yl carbonate?
The InChIKey is VQCIRPYNQRBTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O3/c1-6(2)14-9(13)15-8(4)10(5,12)7(3)11/h6-8H,1-5H3.
What are the key properties of (3,4-difluoro-3-methylpentan-2-yl) propan-2-yl carbonate?
(3,4-difluoro-3-methylpentan-2-yl) propan-2-yl carbonate has a molecular weight of 224.25 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluoro-3-methylpentan-2-yl) propan-2-yl carbonate is sourced from PubChem (CID 59289688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).