bis(3,5-difluoro-2,3-dimethylhexan-2-yl) carbonate

C17H30F4O3 — CID 59289689

IUPACbis(3,5-difluoro-2,3-dimethylhexan-2-yl) carbonate
SMILESCC(F)CC(C)(F)C(C)(C)OC(=O)OC(C)(C)C(C)(F)CC(C)F
InChIInChI=1S/C17H30F4O3/c1-11(18)9-16(7,20)14(3,4)23-13(22)24-15(5,6)17(8,21)10-12(2)19/h11-12H,9-10H2,1-8H3
InChIKeyYXWAMJOPODJNJM-UHFFFAOYSA-N
MW358.42 g/mol
LogP5.65
Rot. Bonds8

About bis(3,5-difluoro-2,3-dimethylhexan-2-yl) carbonate

bis(3,5-difluoro-2,3-dimethylhexan-2-yl) carbonate (PubChem CID 59289689) has the molecular formula C17H30F4O3 and a molecular weight of 358.42 g/mol. Its IUPAC name is bis(3,5-difluoro-2,3-dimethylhexan-2-yl) carbonate.

Molecular Properties

Compound Namebis(3,5-difluoro-2,3-dimethylhexan-2-yl) carbonate
PubChem CID59289689
Molecular FormulaC17H30F4O3
Molecular Weight358.42 g/mol
Exact Mass358.21
IUPAC Namebis(3,5-difluoro-2,3-dimethylhexan-2-yl) carbonate
SMILESCC(F)CC(C)(F)C(C)(C)OC(=O)OC(C)(C)C(C)(F)CC(C)F
InChIInChI=1S/C17H30F4O3/c1-11(18)9-16(7,20)14(3,4)23-13(22)24-15(5,6)17(8,21)10-12(2)19/h11-12H,9-10H2,1-8H3
InChIKeyYXWAMJOPODJNJM-UHFFFAOYSA-N
XLogP5.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze bis(3,5-difluoro-2,3-dimethylhexan-2-yl) carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(3,5-difluoro-2,3-dimethylhexan-2-yl) carbonate?
The IUPAC name of bis(3,5-difluoro-2,3-dimethylhexan-2-yl) carbonate (CID 59289689) is bis(3,5-difluoro-2,3-dimethylhexan-2-yl) carbonate.
What is the SMILES notation for bis(3,5-difluoro-2,3-dimethylhexan-2-yl) carbonate?
The canonical SMILES for bis(3,5-difluoro-2,3-dimethylhexan-2-yl) carbonate is CC(F)CC(C)(F)C(C)(C)OC(=O)OC(C)(C)C(C)(F)CC(C)F.
What is the InChIKey of bis(3,5-difluoro-2,3-dimethylhexan-2-yl) carbonate?
The InChIKey is YXWAMJOPODJNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F4O3/c1-11(18)9-16(7,20)14(3,4)23-13(22)24-15(5,6)17(8,21)10-12(2)19/h11-12H,9-10H2,1-8H3.
What are the key properties of bis(3,5-difluoro-2,3-dimethylhexan-2-yl) carbonate?
bis(3,5-difluoro-2,3-dimethylhexan-2-yl) carbonate has a molecular weight of 358.42 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-difluoro-2,3-dimethylhexan-2-yl) carbonate is sourced from PubChem (CID 59289689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).