1-[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-[1,1,1,3,3,3-hexafluoro-2-(2-propan-2-yloxyethoxy)propan-2-yl]cyclohexane

C25H36F12O4 — CID 20743886

IUPAC1-[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-[1,1,1,3,3,3-hexafluoro-2-(2-propan-2-yloxyethoxy)propan-2-yl]cyclohexane
SMILESCC(C)OCCOC(C1CCCC(C(OCOCC2CCCCC2)(C(F)(F)F)C(F)(F)F)C1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C25H36F12O4/c1-16(2)39-11-12-40-20(22(26,27)28,23(29,30)31)18-9-6-10-19(13-18)21(24(32,33)34,25(35,36)37)41-15-38-14-17-7-4-3-5-8-17/h16-19H,3-15H2,1-2H3
InChIKeyJZPHVDJHVLPRLZ-UHFFFAOYSA-N
MW628.54 g/mol
LogP8.53
Rot. Bonds12

About 1-[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-[1,1,1,3,3,3-hexafluoro-2-(2-propan-2-yloxyethoxy)propan-2-yl]cyclohexane

1-[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-[1,1,1,3,3,3-hexafluoro-2-(2-propan-2-yloxyethoxy)propan-2-yl]cyclohexane (PubChem CID 20743886) has the molecular formula C25H36F12O4 and a molecular weight of 628.54 g/mol. Its IUPAC name is 1-[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-[1,1,1,3,3,3-hexafluoro-2-(2-propan-2-yloxyethoxy)propan-2-yl]cyclohexane.

Molecular Properties

Compound Name1-[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-[1,1,1,3,3,3-hexafluoro-2-(2-propan-2-yloxyethoxy)propan-2-yl]cyclohexane
PubChem CID20743886
Molecular FormulaC25H36F12O4
Molecular Weight628.54 g/mol
Exact Mass628.24
IUPAC Name1-[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-[1,1,1,3,3,3-hexafluoro-2-(2-propan-2-yloxyethoxy)propan-2-yl]cyclohexane
SMILESCC(C)OCCOC(C1CCCC(C(OCOCC2CCCCC2)(C(F)(F)F)C(F)(F)F)C1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C25H36F12O4/c1-16(2)39-11-12-40-20(22(26,27)28,23(29,30)31)18-9-6-10-19(13-18)21(24(32,33)34,25(35,36)37)41-15-38-14-17-7-4-3-5-8-17/h16-19H,3-15H2,1-2H3
InChIKeyJZPHVDJHVLPRLZ-UHFFFAOYSA-N
XLogP8.53
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.54
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-[1,1,1,3,3,3-hexafluoro-2-(2-propan-2-yloxyethoxy)propan-2-yl]cyclohexane?
The IUPAC name of 1-[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-[1,1,1,3,3,3-hexafluoro-2-(2-propan-2-yloxyethoxy)propan-2-yl]cyclohexane (CID 20743886) is 1-[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-[1,1,1,3,3,3-hexafluoro-2-(2-propan-2-yloxyethoxy)propan-2-yl]cyclohexane.
What is the SMILES notation for 1-[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-[1,1,1,3,3,3-hexafluoro-2-(2-propan-2-yloxyethoxy)propan-2-yl]cyclohexane?
The canonical SMILES for 1-[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-[1,1,1,3,3,3-hexafluoro-2-(2-propan-2-yloxyethoxy)propan-2-yl]cyclohexane is CC(C)OCCOC(C1CCCC(C(OCOCC2CCCCC2)(C(F)(F)F)C(F)(F)F)C1)(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]-3-[1,1,1,3,3,3-hexafluoro-2-(2-propan-2-yloxyethoxy)propan-2-yl]cyclohexane?
The InChIKey is JZPHVDJHVLPRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36F12O4/c1-16(2)39-11-12-40-20(22(26,27)28,23(29,30)31)18-9-6-10-19(13-18)21(24(32,33)34,25(35,36)37)41-15-38-14-17-7-4-3-5-8-17/h16-19H,3-15H2,1-2H3.
What are the key properties of 1-[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-[1,1,1,3,3,3-hexafluoro-2-(2-propan-2-yloxyethoxy)propan-2-yl]cyclohexane?
1-[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-[1,1,1,3,3,3-hexafluoro-2-(2-propan-2-yloxyethoxy)propan-2-yl]cyclohexane has a molecular weight of 628.54 g/mol, XLogP of 8.53, 12 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]-3-[1,1,1,3,3,3-hexafluoro-2-(2-propan-2-yloxyethoxy)propan-2-yl]cyclohexane is sourced from PubChem (CID 20743886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).