3,5,7-trifluoro-4-(1-fluoropropyl)-4-[3,5,7-trifluoro-4-(1-fluoropropyl)nonan-4-yl]oxynonane

C24H42F8O — CID 122615155

IUPAC3,5,7-trifluoro-4-(1-fluoropropyl)-4-[3,5,7-trifluoro-4-(1-fluoropropyl)nonan-4-yl]oxynonane
SMILESCCC(F)CC(F)C(OC(C(F)CC)(C(F)CC)C(F)CC(F)CC)(C(F)CC)C(F)CC
InChIInChI=1S/C24H42F8O/c1-7-15(25)13-21(31)23(17(27)9-3,18(28)10-4)33-24(19(29)11-5,20(30)12-6)22(32)14-16(26)8-2/h15-22H,7-14H2,1-6H3
InChIKeyZURRDTDKUBXWQY-UHFFFAOYSA-N
MW498.58 g/mol
LogP8.43
Rot. Bonds18

About 3,5,7-trifluoro-4-(1-fluoropropyl)-4-[3,5,7-trifluoro-4-(1-fluoropropyl)nonan-4-yl]oxynonane

3,5,7-trifluoro-4-(1-fluoropropyl)-4-[3,5,7-trifluoro-4-(1-fluoropropyl)nonan-4-yl]oxynonane (PubChem CID 122615155) has the molecular formula C24H42F8O and a molecular weight of 498.58 g/mol. Its IUPAC name is 3,5,7-trifluoro-4-(1-fluoropropyl)-4-[3,5,7-trifluoro-4-(1-fluoropropyl)nonan-4-yl]oxynonane.

Molecular Properties

Compound Name3,5,7-trifluoro-4-(1-fluoropropyl)-4-[3,5,7-trifluoro-4-(1-fluoropropyl)nonan-4-yl]oxynonane
PubChem CID122615155
Molecular FormulaC24H42F8O
Molecular Weight498.58 g/mol
Exact Mass498.31
IUPAC Name3,5,7-trifluoro-4-(1-fluoropropyl)-4-[3,5,7-trifluoro-4-(1-fluoropropyl)nonan-4-yl]oxynonane
SMILESCCC(F)CC(F)C(OC(C(F)CC)(C(F)CC)C(F)CC(F)CC)(C(F)CC)C(F)CC
InChIInChI=1S/C24H42F8O/c1-7-15(25)13-21(31)23(17(27)9-3,18(28)10-4)33-24(19(29)11-5,20(30)12-6)22(32)14-16(26)8-2/h15-22H,7-14H2,1-6H3
InChIKeyZURRDTDKUBXWQY-UHFFFAOYSA-N
XLogP8.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,5,7-trifluoro-4-(1-fluoropropyl)-4-[3,5,7-trifluoro-4-(1-fluoropropyl)nonan-4-yl]oxynonane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trifluoro-4-(1-fluoropropyl)-4-[3,5,7-trifluoro-4-(1-fluoropropyl)nonan-4-yl]oxynonane?
The IUPAC name of 3,5,7-trifluoro-4-(1-fluoropropyl)-4-[3,5,7-trifluoro-4-(1-fluoropropyl)nonan-4-yl]oxynonane (CID 122615155) is 3,5,7-trifluoro-4-(1-fluoropropyl)-4-[3,5,7-trifluoro-4-(1-fluoropropyl)nonan-4-yl]oxynonane.
What is the SMILES notation for 3,5,7-trifluoro-4-(1-fluoropropyl)-4-[3,5,7-trifluoro-4-(1-fluoropropyl)nonan-4-yl]oxynonane?
The canonical SMILES for 3,5,7-trifluoro-4-(1-fluoropropyl)-4-[3,5,7-trifluoro-4-(1-fluoropropyl)nonan-4-yl]oxynonane is CCC(F)CC(F)C(OC(C(F)CC)(C(F)CC)C(F)CC(F)CC)(C(F)CC)C(F)CC.
What is the InChIKey of 3,5,7-trifluoro-4-(1-fluoropropyl)-4-[3,5,7-trifluoro-4-(1-fluoropropyl)nonan-4-yl]oxynonane?
The InChIKey is ZURRDTDKUBXWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42F8O/c1-7-15(25)13-21(31)23(17(27)9-3,18(28)10-4)33-24(19(29)11-5,20(30)12-6)22(32)14-16(26)8-2/h15-22H,7-14H2,1-6H3.
What are the key properties of 3,5,7-trifluoro-4-(1-fluoropropyl)-4-[3,5,7-trifluoro-4-(1-fluoropropyl)nonan-4-yl]oxynonane?
3,5,7-trifluoro-4-(1-fluoropropyl)-4-[3,5,7-trifluoro-4-(1-fluoropropyl)nonan-4-yl]oxynonane has a molecular weight of 498.58 g/mol, XLogP of 8.43, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trifluoro-4-(1-fluoropropyl)-4-[3,5,7-trifluoro-4-(1-fluoropropyl)nonan-4-yl]oxynonane is sourced from PubChem (CID 122615155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).