tert-butyl (2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate

C14H20F6O3 — CID 58776750

IUPACtert-butyl (2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate
SMILESCC(C)(C)OC(=O)OC(C1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H20F6O3/c1-11(2,3)22-10(21)23-12(13(15,16)17,14(18,19)20)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyMOERYJGKVGFIIC-UHFFFAOYSA-N
MW350.30 g/mol
LogP5.38
Rot. Bonds2

About tert-butyl (2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate

tert-butyl (2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate (PubChem CID 58776750) has the molecular formula C14H20F6O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is tert-butyl (2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate.

Molecular Properties

Compound Nametert-butyl (2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate
PubChem CID58776750
Molecular FormulaC14H20F6O3
Molecular Weight350.30 g/mol
Exact Mass350.13
IUPAC Nametert-butyl (2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate
SMILESCC(C)(C)OC(=O)OC(C1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H20F6O3/c1-11(2,3)22-10(21)23-12(13(15,16)17,14(18,19)20)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
InChIKeyMOERYJGKVGFIIC-UHFFFAOYSA-N
XLogP5.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.30
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Bis(carbonic acid tert-butyl)cyclohexane-1,4-diylbis[bis(trifluoromethyl)methylene] ester
CID 20743963
Tert-butyl [2-(cyclohexylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] carbonate
CID 20826480
[2-[3-Butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] tert-butyl carbonate
CID 21053339
Bis(carbonic acid tert-butyl)cyclohexane-1,3-diylbis[bis(trifluoromethyl)methylene] ester
CID 21053487
3-Ethyl-1,2,2-trifluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane
CID 57723670
1-(1,1-Difluoroethyl)-1-fluoro-3-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane
CID 57723676
3-Ethyl-1-fluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane
CID 58657618
1-[(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)oxymethoxy]-2-propan-2-ylcyclohexane
CID 58761418
[2-(3-Butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] tert-butyl carbonate
CID 58823567
[2-(4-Butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] tert-butyl carbonate
CID 58823574
[1-[3-Butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxycarbonyloxy]propan-2-yl]cyclohexyl]-1,2,2,2-tetrafluoroethyl] tert-butyl carbonate
CID 58823579
1-Butan-2-yl-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane
CID 58840386

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate?
The IUPAC name of tert-butyl (2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate (CID 58776750) is tert-butyl (2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate.
What is the SMILES notation for tert-butyl (2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate?
The canonical SMILES for tert-butyl (2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate is CC(C)(C)OC(=O)OC(C1CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of tert-butyl (2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate?
The InChIKey is MOERYJGKVGFIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6O3/c1-11(2,3)22-10(21)23-12(13(15,16)17,14(18,19)20)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3.
What are the key properties of tert-butyl (2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate?
tert-butyl (2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate has a molecular weight of 350.30 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl) carbonate is sourced from PubChem (CID 58776750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).