1,4-bis[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane

C28H40F12O4 — CID 20743904

IUPAC1,4-bis[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
SMILESFC(F)(F)C(OCOCC1CCCCC1)(C1CCC(C(OCOCC2CCCCC2)(C(F)(F)F)C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C28H40F12O4/c29-25(30,31)23(26(32,33)34,43-17-41-15-19-7-3-1-4-8-19)21-11-13-22(14-12-21)24(27(35,36)37,28(38,39)40)44-18-42-16-20-9-5-2-6-10-20/h19-22H,1-18H2
InChIKeyBUELABWSCPPMGB-UHFFFAOYSA-N
MW668.60 g/mol
LogP9.66
Rot. Bonds12

About 1,4-bis[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane

1,4-bis[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane (PubChem CID 20743904) has the molecular formula C28H40F12O4 and a molecular weight of 668.60 g/mol. Its IUPAC name is 1,4-bis[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane.

Molecular Properties

Compound Name1,4-bis[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
PubChem CID20743904
Molecular FormulaC28H40F12O4
Molecular Weight668.60 g/mol
Exact Mass668.27
IUPAC Name1,4-bis[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
SMILESFC(F)(F)C(OCOCC1CCCCC1)(C1CCC(C(OCOCC2CCCCC2)(C(F)(F)F)C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C28H40F12O4/c29-25(30,31)23(26(32,33)34,43-17-41-15-19-7-3-1-4-8-19)21-11-13-22(14-12-21)24(27(35,36)37,28(38,39)40)44-18-42-16-20-9-5-2-6-10-20/h19-22H,1-18H2
InChIKeyBUELABWSCPPMGB-UHFFFAOYSA-N
XLogP9.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.60
LogP ≤ 59.66
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 1,4-bis[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[[3,6,6-Trifluoro-5-(trifluoromethyl)nonan-5-yl]oxymethoxy]adamantane
CID 58761446
1-[1,1,1,3,3,3-Hexafluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]-4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane
CID 58807717
1-Butan-2-yl-3,5-bis[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 58820955
1-Butan-2-yl-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 58823661
1-Butan-2-yl-4-[2-(ethoxymethoxy)-1,1,1-trifluoropropan-2-yl]cyclohexane
CID 58840383
1,4-Bis[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane
CID 58895593
1-[1,1,1,3,3,3-Hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]propan-2-yl]cyclohexane
CID 58957748
2-[4-[4-[Difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]cyclohexyl]cyclohexyl]-1,3-dioxolane
CID 59010772
2,2,3,3-Tetrafluoro-1-(methoxymethoxy)-4-(4-methylcyclohexyl)bicyclo[2.2.2]octane
CID 59481103

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane?
The IUPAC name of 1,4-bis[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane (CID 20743904) is 1,4-bis[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane.
What is the SMILES notation for 1,4-bis[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane?
The canonical SMILES for 1,4-bis[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane is FC(F)(F)C(OCOCC1CCCCC1)(C1CCC(C(OCOCC2CCCCC2)(C(F)(F)F)C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 1,4-bis[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane?
The InChIKey is BUELABWSCPPMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40F12O4/c29-25(30,31)23(26(32,33)34,43-17-41-15-19-7-3-1-4-8-19)21-11-13-22(14-12-21)24(27(35,36)37,28(38,39)40)44-18-42-16-20-9-5-2-6-10-20/h19-22H,1-18H2.
What are the key properties of 1,4-bis[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane?
1,4-bis[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane has a molecular weight of 668.60 g/mol, XLogP of 9.66, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane is sourced from PubChem (CID 20743904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).