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

C25H36F12O4 — CID 20743889

IUPAC1-[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
SMILESCCCOCCOC(C1CCC(C(OCOCC2CCCCC2)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C25H36F12O4/c1-2-12-38-13-14-40-20(22(26,27)28,23(29,30)31)18-8-10-19(11-9-18)21(24(32,33)34,25(35,36)37)41-16-39-15-17-6-4-3-5-7-17/h17-19H,2-16H2,1H3
InChIKeyRIQCAFWXVWPUTC-UHFFFAOYSA-N
MW628.53 g/mol
LogP8.53
Rot. Bonds13

About 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

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 (PubChem CID 20743889) has the molecular formula C25H36F12O4 and a molecular weight of 628.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID20743889
Molecular FormulaC25H36F12O4
Molecular Weight628.53 g/mol
Exact Mass628.24
IUPAC Name1-[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
SMILESCCCOCCOC(C1CCC(C(OCOCC2CCCCC2)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C25H36F12O4/c1-2-12-38-13-14-40-20(22(26,27)28,23(29,30)31)18-8-10-19(11-9-18)21(24(32,33)34,25(35,36)37)41-16-39-15-17-6-4-3-5-7-17/h17-19H,2-16H2,1H3
InChIKeyRIQCAFWXVWPUTC-UHFFFAOYSA-N
XLogP8.53
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.53
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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-propan-2-yloxypropan-2-yl)cyclohexane
CID 20743891
1-tert-butyl-4-(propoxymethyl)cyclohexane
CID 123879398
ethoxymethylcyclooctane
CID 70370569
2-methoxyethoxymethylcyclooctane
CID 3020404
2-[2-[2-[2-(cyclohexylmethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 142615958
N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine
CID 63686610
butylperoxymethylcyclohexane
CID 139855093
2-(2-propoxyethoxymethyl)piperidine
CID 63684377
cyclohexylmethoxymethylsilane
CID 71346354
2-[2-(cyclopentylmethoxy)ethoxy]ethanol
CID 59001866
1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane
CID 20802182
N,N-bis(cyclopentylmethyl)-2-propoxyethanamine
CID 162289778

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCOCCOC(C1CCC(C(OCOCC2CCCCC2)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is RIQCAFWXVWPUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36F12O4/c1-2-12-38-13-14-40-20(22(26,27)28,23(29,30)31)18-8-10-19(11-9-18)21(24(32,33)34,25(35,36)37)41-16-39-15-17-6-4-3-5-7-17/h17-19H,2-16H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 628.53 g/mol, XLogP of 8.53, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 20743889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).