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

C10H18F2O3 — CID 59289685

IUPAC(3,5-difluoro-2,3-dimethylhexan-2-yl) methyl carbonate
SMILESCOC(=O)OC(C)(C)C(C)(F)CC(C)F
InChIInChI=1S/C10H18F2O3/c1-7(11)6-10(4,12)9(2,3)15-8(13)14-5/h7H,6H2,1-5H3
InChIKeyNITUCDGRSZDAHT-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.02
Rot. Bonds4

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

(3,5-difluoro-2,3-dimethylhexan-2-yl) methyl carbonate (PubChem CID 59289685) has the molecular formula C10H18F2O3 and a molecular weight of 224.25 g/mol. Its IUPAC name is (3,5-difluoro-2,3-dimethylhexan-2-yl) methyl carbonate.

Molecular Properties

Compound Name(3,5-difluoro-2,3-dimethylhexan-2-yl) methyl carbonate
PubChem CID59289685
Molecular FormulaC10H18F2O3
Molecular Weight224.25 g/mol
Exact Mass224.12
IUPAC Name(3,5-difluoro-2,3-dimethylhexan-2-yl) methyl carbonate
SMILESCOC(=O)OC(C)(C)C(C)(F)CC(C)F
InChIInChI=1S/C10H18F2O3/c1-7(11)6-10(4,12)9(2,3)15-8(13)14-5/h7H,6H2,1-5H3
InChIKeyNITUCDGRSZDAHT-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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Related Compounds

Tert-butyl [1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl] carbonate
CID 20756292
Tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl] carbonate
CID 21020798
Tert-butyl (1,1,1-trifluoro-2,4-dimethylhexan-2-yl) carbonate
CID 58205697
Methyl [3,6,6-trifluoro-5-(trifluoromethyl)nonan-5-yl] carbonate
CID 58841686
(3,4-Difluoro-2,3-dimethylpentan-2-yl) (3-fluoro-2,3-dimethylbutan-2-yl) carbonate
CID 59289683
(3,4-Difluoro-2,3-dimethylpentan-2-yl) methyl carbonate
CID 59289684
Bis(3,5-difluoro-2,3-dimethylhexan-2-yl) carbonate
CID 59289689
Methyl [1,2,2,5-tetrafluoro-3-(trifluoromethyl)heptan-3-yl] carbonate
CID 59676505
Tert-butyl [2,2,4,4,7-pentafluoro-5-(trifluoromethyl)nonan-5-yl] carbonate
CID 88868480
Bis(3,4-difluoro-2,3-dimethylpentan-2-yl) carbonate
CID 89771215
Tert-butyl [1,2,2,5-tetrafluoro-3-(trifluoromethyl)heptan-3-yl] carbonate
CID 140480487
2-Methylpropyl 2,4,5-trimethylhexan-2-yl carbonate
CID 88275856

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-2,3-dimethylhexan-2-yl) methyl carbonate?
The IUPAC name of (3,5-difluoro-2,3-dimethylhexan-2-yl) methyl carbonate (CID 59289685) is (3,5-difluoro-2,3-dimethylhexan-2-yl) methyl carbonate.
What is the SMILES notation for (3,5-difluoro-2,3-dimethylhexan-2-yl) methyl carbonate?
The canonical SMILES for (3,5-difluoro-2,3-dimethylhexan-2-yl) methyl carbonate is COC(=O)OC(C)(C)C(C)(F)CC(C)F.
What is the InChIKey of (3,5-difluoro-2,3-dimethylhexan-2-yl) methyl carbonate?
The InChIKey is NITUCDGRSZDAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O3/c1-7(11)6-10(4,12)9(2,3)15-8(13)14-5/h7H,6H2,1-5H3.
What are the key properties of (3,5-difluoro-2,3-dimethylhexan-2-yl) methyl carbonate?
(3,5-difluoro-2,3-dimethylhexan-2-yl) methyl 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 (3,5-difluoro-2,3-dimethylhexan-2-yl) methyl carbonate is sourced from PubChem (CID 59289685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).