1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,5,5-trimethylhexoxy)decane

C19H23F17O — CID 18787822

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,5,5-trimethylhexoxy)decane
SMILESCC(CCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(C)(C)C
InChIInChI=1S/C19H23F17O/c1-10(9-11(2,3)4)5-7-37-8-6-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h10H,5-9H2,1-4H3
InChIKeyIXSIUSBLZGJUHA-UHFFFAOYSA-N
MW590.36 g/mol
LogP8.86
Rot. Bonds13

About 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,5,5-trimethylhexoxy)decane

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,5,5-trimethylhexoxy)decane (PubChem CID 18787822) has the molecular formula C19H23F17O and a molecular weight of 590.36 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,5,5-trimethylhexoxy)decane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,5,5-trimethylhexoxy)decane
PubChem CID18787822
Molecular FormulaC19H23F17O
Molecular Weight590.36 g/mol
Exact Mass590.15
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,5,5-trimethylhexoxy)decane
SMILESCC(CCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(C)(C)C
InChIInChI=1S/C19H23F17O/c1-10(9-11(2,3)4)5-7-37-8-6-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h10H,5-9H2,1-4H3
InChIKeyIXSIUSBLZGJUHA-UHFFFAOYSA-N
XLogP8.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.36
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,5,5-trimethylhexoxy)decane 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

(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane
CID 18725571
(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)(3,5,5-trimethylhexyl) ether
CID 18787824
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-(4-methylpentan-2-yloxy)decane
CID 18787828
1,1,1-Trifluoro-2-(octoxymethyl)heptane
CID 22002805
12-(1,1,2,2-Tetrafluoroethoxymethyl)pentacosane
CID 53946168
9-[(1,1,2,2-Tetrafluoroethoxy)methyl]nonadecane
CID 54339885
[2,2,2-Trifluoro-1-[2-methyl-2-(trifluoromethyl)butoxy]ethyl]cyclohexane
CID 58952846
2,2-Difluoro-1-propoxy-3-(trifluoromethyl)heptane
CID 59271114
3-(5,5-Difluoro-6,6-dimethylheptyl)-3-ethyl-4-methyloxolane
CID 68343134
3-(3,3-Difluoro-4-methylpentyl)-3-methyloxolane
CID 68343144
3-(6,6-Difluoro-7-methyloctyl)-3-methyloxolane
CID 68343175
3-(4,4-Difluoro-5-methylhexyl)-3-methyloxolane
CID 68343177

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,5,5-trimethylhexoxy)decane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,5,5-trimethylhexoxy)decane (CID 18787822) is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,5,5-trimethylhexoxy)decane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,5,5-trimethylhexoxy)decane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,5,5-trimethylhexoxy)decane is CC(CCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(C)(C)C.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,5,5-trimethylhexoxy)decane?
The InChIKey is IXSIUSBLZGJUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F17O/c1-10(9-11(2,3)4)5-7-37-8-6-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h10H,5-9H2,1-4H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,5,5-trimethylhexoxy)decane?
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,5,5-trimethylhexoxy)decane has a molecular weight of 590.36 g/mol, XLogP of 8.86, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,5,5-trimethylhexoxy)decane is sourced from PubChem (CID 18787822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).