6-[fluoro(dimethyl)silyl]-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-one

C20H34FNO2Si — CID 611728

IUPAC6-[fluoro(dimethyl)silyl]-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-one
SMILESCCCCCCCCCCCc1noc2c1C(=O)CC([Si](C)(C)F)C2
InChIInChI=1S/C20H34FNO2Si/c1-4-5-6-7-8-9-10-11-12-13-17-20-18(23)14-16(25(2,3)21)15-19(20)24-22-17/h16H,4-15H2,1-3H3
InChIKeyGECGJLRBGHKOBP-UHFFFAOYSA-N
MW367.58 g/mol
LogP6.42
Rot. Bonds11

About 6-[fluoro(dimethyl)silyl]-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-one

6-[fluoro(dimethyl)silyl]-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-one (PubChem CID 611728) has the molecular formula C20H34FNO2Si and a molecular weight of 367.58 g/mol. Its IUPAC name is 6-[fluoro(dimethyl)silyl]-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-one.

Molecular Properties

Compound Name6-[fluoro(dimethyl)silyl]-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-one
PubChem CID611728
Molecular FormulaC20H34FNO2Si
Molecular Weight367.58 g/mol
Exact Mass367.23
IUPAC Name6-[fluoro(dimethyl)silyl]-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-one
SMILESCCCCCCCCCCCc1noc2c1C(=O)CC([Si](C)(C)F)C2
InChIInChI=1S/C20H34FNO2Si/c1-4-5-6-7-8-9-10-11-12-13-17-20-18(23)14-16(25(2,3)21)15-19(20)24-22-17/h16H,4-15H2,1-3H3
InChIKeyGECGJLRBGHKOBP-UHFFFAOYSA-N
XLogP6.42
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[fluoro(dimethyl)silyl]-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-one with MolForge

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Related Compounds

3-Methyl-6,7-dihydro-1,2-benzisoxazol-4(5H)-one
CID 365021
3-Propyl-6,7-dihydro-5H-benzo[d]isoxazol-4-one oxime
CID 5407249
2-[(3,5-Dimethyl-4-isoxazolyl)methyl]cyclohexanone
CID 573494
6,6-Dimethyl-3-propyl-5,7-dihydro-1,2-benzoxazol-4-one
CID 749816
3,6,6-Trimethyl-5,6,7-trihydrobenzo[2,1-d]isoxazol-4-one
CID 939993
3-Methyl-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 304261
6,6-Dimethyl-3-(trifluoromethyl)-6,7-dihydrobenzo[d]isoxazole-4,5-dione
CID 171919129
N-(3-pentadecyl-6,7-dihydro-5H-1,2-benzoxazol-4-ylidene)hydroxylamine
CID 2728884
4,5,6,7-Tetrahydrobenz[d[isoxazole-4-one, 3-[10-phendecyl]-6-[fluoro-
CID 561603
3-Undecyl-6,7-dihydro-1,2-benzisoxazol-4(5H)-one
CID 365019
3,6,6-Trimethyl-6,7-dihydrobenzo[2,1-d]isoxazole-4,5-dione
CID 4198700
3-Heptadecyl-4,5,6,7-tetrahydro-2,1-benzoxazole
CID 86178887

Frequently Asked Questions

What is the IUPAC name of 6-[fluoro(dimethyl)silyl]-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-one?
The IUPAC name of 6-[fluoro(dimethyl)silyl]-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-one (CID 611728) is 6-[fluoro(dimethyl)silyl]-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-one.
What is the SMILES notation for 6-[fluoro(dimethyl)silyl]-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-one?
The canonical SMILES for 6-[fluoro(dimethyl)silyl]-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-one is CCCCCCCCCCCc1noc2c1C(=O)CC([Si](C)(C)F)C2.
What is the InChIKey of 6-[fluoro(dimethyl)silyl]-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-one?
The InChIKey is GECGJLRBGHKOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34FNO2Si/c1-4-5-6-7-8-9-10-11-12-13-17-20-18(23)14-16(25(2,3)21)15-19(20)24-22-17/h16H,4-15H2,1-3H3.
What are the key properties of 6-[fluoro(dimethyl)silyl]-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-one?
6-[fluoro(dimethyl)silyl]-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-one has a molecular weight of 367.58 g/mol, XLogP of 6.42, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[fluoro(dimethyl)silyl]-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-one is sourced from PubChem (CID 611728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).