1-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]-4-[2-[4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexyl]propan-2-yl]cyclohexane

C24H35F9O4 — CID 21053443

IUPAC1-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]-4-[2-[4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexyl]propan-2-yl]cyclohexane
SMILESC=C(OC1CCC(C(C)(C)C2CCC(OCC(OCOC)(C(F)(F)F)C(F)(F)F)CC2)CC1)C(F)(F)F
InChIInChI=1S/C24H35F9O4/c1-15(22(25,26)27)37-19-11-7-17(8-12-19)20(2,3)16-5-9-18(10-6-16)35-13-21(23(28,29)30,24(31,32)33)36-14-34-4/h16-19H,1,5-14H2,2-4H3
InChIKeyVHSADESZWXXEBT-UHFFFAOYSA-N
MW558.52 g/mol
LogP7.72
Rot. Bonds10

About 1-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]-4-[2-[4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexyl]propan-2-yl]cyclohexane

1-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]-4-[2-[4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexyl]propan-2-yl]cyclohexane (PubChem CID 21053443) has the molecular formula C24H35F9O4 and a molecular weight of 558.52 g/mol. Its IUPAC name is 1-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]-4-[2-[4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexyl]propan-2-yl]cyclohexane.

Molecular Properties

Compound Name1-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]-4-[2-[4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexyl]propan-2-yl]cyclohexane
PubChem CID21053443
Molecular FormulaC24H35F9O4
Molecular Weight558.52 g/mol
Exact Mass558.24
IUPAC Name1-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]-4-[2-[4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexyl]propan-2-yl]cyclohexane
SMILESC=C(OC1CCC(C(C)(C)C2CCC(OCC(OCOC)(C(F)(F)F)C(F)(F)F)CC2)CC1)C(F)(F)F
InChIInChI=1S/C24H35F9O4/c1-15(22(25,26)27)37-19-11-7-17(8-12-19)20(2,3)16-5-9-18(10-6-16)35-13-21(23(28,29)30,24(31,32)33)36-14-34-4/h16-19H,1,5-14H2,2-4H3
InChIKeyVHSADESZWXXEBT-UHFFFAOYSA-N
XLogP7.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.52
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]-4-[2-[4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexyl]propan-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
1,1,1,3,3,3-Hexafluoro-2-[[4-[2-[4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]propan-2-ol
CID 21053440
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;fluoromethane
CID 91548015

Frequently Asked Questions

What is the IUPAC name of 1-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]-4-[2-[4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexyl]propan-2-yl]cyclohexane?
The IUPAC name of 1-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]-4-[2-[4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexyl]propan-2-yl]cyclohexane (CID 21053443) is 1-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]-4-[2-[4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexyl]propan-2-yl]cyclohexane.
What is the SMILES notation for 1-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]-4-[2-[4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexyl]propan-2-yl]cyclohexane?
The canonical SMILES for 1-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]-4-[2-[4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexyl]propan-2-yl]cyclohexane is C=C(OC1CCC(C(C)(C)C2CCC(OCC(OCOC)(C(F)(F)F)C(F)(F)F)CC2)CC1)C(F)(F)F.
What is the InChIKey of 1-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]-4-[2-[4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexyl]propan-2-yl]cyclohexane?
The InChIKey is VHSADESZWXXEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F9O4/c1-15(22(25,26)27)37-19-11-7-17(8-12-19)20(2,3)16-5-9-18(10-6-16)35-13-21(23(28,29)30,24(31,32)33)36-14-34-4/h16-19H,1,5-14H2,2-4H3.
What are the key properties of 1-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]-4-[2-[4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexyl]propan-2-yl]cyclohexane?
1-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]-4-[2-[4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexyl]propan-2-yl]cyclohexane has a molecular weight of 558.52 g/mol, XLogP of 7.72, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]-4-[2-[4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexyl]propan-2-yl]cyclohexane is sourced from PubChem (CID 21053443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).