1,4-bis[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane

C16H20F12O4 — CID 58895593

IUPAC1,4-bis[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane
SMILESCOCOC(C1CCC(C(OCOC)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H20F12O4/c1-29-7-31-11(13(17,18)19,14(20,21)22)9-3-5-10(6-4-9)12(15(23,24)25,16(26,27)28)32-8-30-2/h9-10H,3-8H2,1-2H3
InChIKeyGOHXYSLOVRSEEL-UHFFFAOYSA-N
MW504.31 g/mol
LogP5.76
Rot. Bonds8

About 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane

1,4-bis[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane (PubChem CID 58895593) has the molecular formula C16H20F12O4 and a molecular weight of 504.31 g/mol. Its IUPAC name is 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane.

Molecular Properties

Compound Name1,4-bis[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane
PubChem CID58895593
Molecular FormulaC16H20F12O4
Molecular Weight504.31 g/mol
Exact Mass504.12
IUPAC Name1,4-bis[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane
SMILESCOCOC(C1CCC(C(OCOC)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H20F12O4/c1-29-7-31-11(13(17,18)19,14(20,21)22)9-3-5-10(6-4-9)12(15(23,24)25,16(26,27)28)32-8-30-2/h9-10H,3-8H2,1-2H3
InChIKeyGOHXYSLOVRSEEL-UHFFFAOYSA-N
XLogP5.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.31
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(Cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[1,1,1,3,3,3-hexafluoro-2-(2-propoxyethoxy)propan-2-yl]cyclohexane
CID 20743889
1-[2-(Cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)cyclohexane
CID 20743891
1-Butan-2-yl-4-[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 20743893
1,4-Bis[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 20743904
[1,1,1-Trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane
CID 20743930
Bis(carbonic acid tert-butyl)cyclohexane-1,4-diylbis[bis(trifluoromethyl)methylene] ester
CID 20743963
3-(1,1-Difluoroethyl)-2,2,4-trifluoro-1-(methoxymethoxy)-5-methyl-1-(trifluoromethyl)cyclohexane
CID 20770040
1-Butan-2-yl-3,5-bis[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane
CID 21053305
1-[1,1,1,3,3,3-Hexafluoro-2-(methoxymethoxy)propan-2-yl]-3-[1,1,1-trifluoro-3-hydroperoxy-4-methyl-2,4-bis(trifluoromethyl)hexan-2-yl]cyclohexane
CID 21063566
1-(1,1-Difluoroethyl)-1,2,2-trifluoro-3-(methoxymethoxy)-5-methyl-3-(trifluoromethyl)cyclohexane
CID 23597948
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

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane?
The IUPAC name of 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane (CID 58895593) is 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane.
What is the SMILES notation for 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane?
The canonical SMILES for 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane is COCOC(C1CCC(C(OCOC)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane?
The InChIKey is GOHXYSLOVRSEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F12O4/c1-29-7-31-11(13(17,18)19,14(20,21)22)9-3-5-10(6-4-9)12(15(23,24)25,16(26,27)28)32-8-30-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane?
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane has a molecular weight of 504.31 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane is sourced from PubChem (CID 58895593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).