1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)-4-propan-2-yloxybenzene

C20H19F15O2 — CID 156765154

IUPAC1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)-4-propan-2-yloxybenzene
SMILESCOC(C)(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H19F15O2/c1-10(2)37-12-7-5-11(6-8-12)13(3,36-4)9-14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h5-8,10H,9H2,1-4H3
InChIKeyRRJVIXASBMOYTK-UHFFFAOYSA-N
MW576.34 g/mol
LogP8.10
Rot. Bonds11

About 1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)-4-propan-2-yloxybenzene

1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)-4-propan-2-yloxybenzene (PubChem CID 156765154) has the molecular formula C20H19F15O2 and a molecular weight of 576.34 g/mol. Its IUPAC name is 1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)-4-propan-2-yloxybenzene
PubChem CID156765154
Molecular FormulaC20H19F15O2
Molecular Weight576.34 g/mol
Exact Mass576.11
IUPAC Name1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)-4-propan-2-yloxybenzene
SMILESCOC(C)(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H19F15O2/c1-10(2)37-12-7-5-11(6-8-12)13(3,36-4)9-14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h5-8,10H,9H2,1-4H3
InChIKeyRRJVIXASBMOYTK-UHFFFAOYSA-N
XLogP8.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.34
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)-4-propan-2-yloxybenzene with MolForge

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Related Compounds

Nonoxynol-1
CID 92035818
2,2,2-Trifluoro-1-(4-methoxyphenyl)ethan-1-ol
CID 244560
trans-1-Butoxy-4-(4-propylcyclohexyl)benzene
CID 583799
1-Ethoxy-4-(4-propylcyclohexyl)benzene
CID 595182
Benzene, 1,1'-(1-methylethylidene)bis(4-(2-propen-1-yloxy)-
CID 77333
2-(4-Methoxyphenyl)propan-2-ol
CID 81930
1-(2-(2-(2-Methoxyethoxy)Ethoxy)Ethoxy)-4-(1,1,3,3-Tetramethylbutyl)Benzene
CID 446308
1-Methoxy-4-(phenoxymethyl)benzene
CID 254150
Benzene, 1-((2-(4-(difluoromethoxy)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067125
p-tert-Butylphenetole
CID 28439
((p-Nonylphenoxy)methyl)oxirane
CID 61374
4,4'-Diethoxybiphenyl
CID 617993

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)-4-propan-2-yloxybenzene?
The IUPAC name of 1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)-4-propan-2-yloxybenzene (CID 156765154) is 1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)-4-propan-2-yloxybenzene?
The canonical SMILES for 1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)-4-propan-2-yloxybenzene is COC(C)(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(OC(C)C)cc1.
What is the InChIKey of 1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)-4-propan-2-yloxybenzene?
The InChIKey is RRJVIXASBMOYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F15O2/c1-10(2)37-12-7-5-11(6-8-12)13(3,36-4)9-14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h5-8,10H,9H2,1-4H3.
What are the key properties of 1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)-4-propan-2-yloxybenzene?
1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)-4-propan-2-yloxybenzene has a molecular weight of 576.34 g/mol, XLogP of 8.10, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methoxydecan-2-yl)-4-propan-2-yloxybenzene is sourced from PubChem (CID 156765154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).