1-[4-[2-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxyethoxy]-5-fluoro-2,3-dimethylpentyl]-1-methylcyclohexane

C25H41F7O2 — CID 58779916

IUPAC1-[4-[2-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxyethoxy]-5-fluoro-2,3-dimethylpentyl]-1-methylcyclohexane
SMILESCC(CC1(C)CCCCC1)C(C)C(CF)OCCOC(C1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C25H41F7O2/c1-18(16-22(3)12-8-5-9-13-22)19(2)21(17-26)33-14-15-34-23(24(27,28)29,25(30,31)32)20-10-6-4-7-11-20/h18-21H,4-17H2,1-3H3
InChIKeyOSXCNHXMLDOGQY-UHFFFAOYSA-N
MW506.59 g/mol
LogP8.43
Rot. Bonds11

About 1-[4-[2-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxyethoxy]-5-fluoro-2,3-dimethylpentyl]-1-methylcyclohexane

1-[4-[2-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxyethoxy]-5-fluoro-2,3-dimethylpentyl]-1-methylcyclohexane (PubChem CID 58779916) has the molecular formula C25H41F7O2 and a molecular weight of 506.59 g/mol. Its IUPAC name is 1-[4-[2-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxyethoxy]-5-fluoro-2,3-dimethylpentyl]-1-methylcyclohexane.

Molecular Properties

Compound Name1-[4-[2-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxyethoxy]-5-fluoro-2,3-dimethylpentyl]-1-methylcyclohexane
PubChem CID58779916
Molecular FormulaC25H41F7O2
Molecular Weight506.59 g/mol
Exact Mass506.30
IUPAC Name1-[4-[2-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxyethoxy]-5-fluoro-2,3-dimethylpentyl]-1-methylcyclohexane
SMILESCC(CC1(C)CCCCC1)C(C)C(CF)OCCOC(C1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C25H41F7O2/c1-18(16-22(3)12-8-5-9-13-22)19(2)21(17-26)33-14-15-34-23(24(27,28)29,25(30,31)32)20-10-6-4-7-11-20/h18-21H,4-17H2,1-3H3
InChIKeyOSXCNHXMLDOGQY-UHFFFAOYSA-N
XLogP8.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.59
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[2-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxyethoxy]-5-fluoro-2,3-dimethylpentyl]-1-methylcyclohexane with MolForge

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Related Compounds

1-(4-Butoxy-5,5,5-trifluoropentyl)-4-cyclohexylcyclohexane
CID 19026573
1-Cyclohexyl-4-(5,5,5-trifluoro-4-hexoxypentyl)cyclohexane
CID 19026583
1-Cyclohexyl-4-(5,5,5-trifluoro-4-pentoxypentyl)cyclohexane
CID 19026610
1-Cyclohexyl-4-(4-decoxy-5,5,5-trifluoropentyl)cyclohexane
CID 19026631
1-Cyclohexyl-4-(5,5,5-trifluoro-4-octoxypentyl)cyclohexane
CID 19026635
1-Cyclohexyl-4-(5,5,5-trifluoro-4-propoxypentyl)cyclohexane
CID 19026643
1-Cyclohexyl-4-(5,5,5-trifluoro-4-heptoxypentyl)cyclohexane
CID 19026678
1-Cyclohexyl-4-(4-ethoxy-5,5,5-trifluoropentyl)cyclohexane
CID 19026706
1-Cyclohexyl-4-(5,5,5-trifluoro-4-nonoxypentyl)cyclohexane
CID 19026710
1-Ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane
CID 20583759
1-[1,1,1,3,3,3-Hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane
CID 20583761
1-[2-(2-Butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(2-cyclohexylethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 20743878

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxyethoxy]-5-fluoro-2,3-dimethylpentyl]-1-methylcyclohexane?
The IUPAC name of 1-[4-[2-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxyethoxy]-5-fluoro-2,3-dimethylpentyl]-1-methylcyclohexane (CID 58779916) is 1-[4-[2-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxyethoxy]-5-fluoro-2,3-dimethylpentyl]-1-methylcyclohexane.
What is the SMILES notation for 1-[4-[2-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxyethoxy]-5-fluoro-2,3-dimethylpentyl]-1-methylcyclohexane?
The canonical SMILES for 1-[4-[2-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxyethoxy]-5-fluoro-2,3-dimethylpentyl]-1-methylcyclohexane is CC(CC1(C)CCCCC1)C(C)C(CF)OCCOC(C1CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[4-[2-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxyethoxy]-5-fluoro-2,3-dimethylpentyl]-1-methylcyclohexane?
The InChIKey is OSXCNHXMLDOGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41F7O2/c1-18(16-22(3)12-8-5-9-13-22)19(2)21(17-26)33-14-15-34-23(24(27,28)29,25(30,31)32)20-10-6-4-7-11-20/h18-21H,4-17H2,1-3H3.
What are the key properties of 1-[4-[2-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxyethoxy]-5-fluoro-2,3-dimethylpentyl]-1-methylcyclohexane?
1-[4-[2-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxyethoxy]-5-fluoro-2,3-dimethylpentyl]-1-methylcyclohexane has a molecular weight of 506.59 g/mol, XLogP of 8.43, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxyethoxy]-5-fluoro-2,3-dimethylpentyl]-1-methylcyclohexane is sourced from PubChem (CID 58779916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).