3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-[(1S)-1-naphthalen-2-ylethoxy]-di(propan-2-yl)silane

C28H29F17OSi — CID 11239574

IUPAC3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-[(1S)-1-naphthalen-2-ylethoxy]-di(propan-2-yl)silane
SMILESCC(C)[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(O[C@@H](C)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C28H29F17OSi/c1-15(2)47(16(3)4,46-17(5)19-11-10-18-8-6-7-9-20(18)14-19)13-12-21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)27(41,42)28(43,44)45/h6-11,14-17H,12-13H2,1-5H3/t17-/m0/s1
InChIKeyAANCUWVTAIWNAC-KRWDZBQOSA-N
MW732.59 g/mol
LogP12.08
Rot. Bonds14

About 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-[(1S)-1-naphthalen-2-ylethoxy]-di(propan-2-yl)silane

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-[(1S)-1-naphthalen-2-ylethoxy]-di(propan-2-yl)silane (PubChem CID 11239574) has the molecular formula C28H29F17OSi and a molecular weight of 732.59 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-[(1S)-1-naphthalen-2-ylethoxy]-di(propan-2-yl)silane.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-[(1S)-1-naphthalen-2-ylethoxy]-di(propan-2-yl)silane
PubChem CID11239574
Molecular FormulaC28H29F17OSi
Molecular Weight732.59 g/mol
Exact Mass732.17
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-[(1S)-1-naphthalen-2-ylethoxy]-di(propan-2-yl)silane
SMILESCC(C)[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(O[C@@H](C)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C28H29F17OSi/c1-15(2)47(16(3)4,46-17(5)19-11-10-18-8-6-7-9-20(18)14-19)13-12-21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)27(41,42)28(43,44)45/h6-11,14-17H,12-13H2,1-5H3/t17-/m0/s1
InChIKeyAANCUWVTAIWNAC-KRWDZBQOSA-N
XLogP12.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.59
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-[(1S)-1-naphthalen-2-ylethoxy]-di(propan-2-yl)silane with MolForge

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Related Compounds

2,2,2-Trifluoro-1-(naphthalen-2-yl)ethan-1-ol
CID 3765592
(R)-2,2,2-Trifluoro-1-(2-naphthyl)ethanol
CID 10987939
Dimethyl(diphenylmethoxy)(pentafluorophenyl)silane
CID 4581060
2,2,2-Trifluoro-1-(4-methylnaphthalen-1-yl)ethan-1-ol
CID 4095172
2-(3,3-Difluoro-1-methoxypropyl)naphthalene
CID 132514348
Trimethyl-(2,2,2-trifluoro-1-naphthalen-2-ylethoxy)silane
CID 15488123
(2-Methylphenyl)methanol, dimethylpentafluorophenylsilyl ether
CID 91703256
(4-(Trifluoromethyl)phenyl)methanol, dimethylpentafluorophenylsilyl ether
CID 91723473
(2-(Trifluoromethyl)phenyl)methanol, dimethylpentafluorophenylsilyl ether
CID 91736809
1-Phenylpropanol, dimethylpentafluorophenylsilyl ether
CID 91742948
2,2-Difluoro-1-naphthalen-2-yl-ethanol
CID 15783622
9-(2,2,2-Trifluoro-1-methoxyethyl)anthracene
CID 613508

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-[(1S)-1-naphthalen-2-ylethoxy]-di(propan-2-yl)silane?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-[(1S)-1-naphthalen-2-ylethoxy]-di(propan-2-yl)silane (CID 11239574) is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-[(1S)-1-naphthalen-2-ylethoxy]-di(propan-2-yl)silane.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-[(1S)-1-naphthalen-2-ylethoxy]-di(propan-2-yl)silane?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-[(1S)-1-naphthalen-2-ylethoxy]-di(propan-2-yl)silane is CC(C)[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(O[C@@H](C)c1ccc2ccccc2c1)C(C)C.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-[(1S)-1-naphthalen-2-ylethoxy]-di(propan-2-yl)silane?
The InChIKey is AANCUWVTAIWNAC-KRWDZBQOSA-N. The full InChI is InChI=1S/C28H29F17OSi/c1-15(2)47(16(3)4,46-17(5)19-11-10-18-8-6-7-9-20(18)14-19)13-12-21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)27(41,42)28(43,44)45/h6-11,14-17H,12-13H2,1-5H3/t17-/m0/s1.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-[(1S)-1-naphthalen-2-ylethoxy]-di(propan-2-yl)silane?
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-[(1S)-1-naphthalen-2-ylethoxy]-di(propan-2-yl)silane has a molecular weight of 732.59 g/mol, XLogP of 12.08, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-[(1S)-1-naphthalen-2-ylethoxy]-di(propan-2-yl)silane is sourced from PubChem (CID 11239574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).