(2-nitrophenyl)methyl 2-fluoro-11-trichlorosilylundecanoate

C18H25Cl3FNO4Si — CID 153492498

IUPAC(2-nitrophenyl)methyl 2-fluoro-11-trichlorosilylundecanoate
SMILESO=C(OCc1ccccc1[N+](=O)[O-])C(F)CCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C18H25Cl3FNO4Si/c19-28(20,21)13-9-5-3-1-2-4-6-11-16(22)18(24)27-14-15-10-7-8-12-17(15)23(25)26/h7-8,10,12,16H,1-6,9,11,13-14H2
InChIKeyCXBYDPZCSTZSBA-UHFFFAOYSA-N
MW472.84 g/mol
LogP6.75
Rot. Bonds14

About (2-nitrophenyl)methyl 2-fluoro-11-trichlorosilylundecanoate

(2-nitrophenyl)methyl 2-fluoro-11-trichlorosilylundecanoate (PubChem CID 153492498) has the molecular formula C18H25Cl3FNO4Si and a molecular weight of 472.84 g/mol. Its IUPAC name is (2-nitrophenyl)methyl 2-fluoro-11-trichlorosilylundecanoate.

Molecular Properties

Compound Name(2-nitrophenyl)methyl 2-fluoro-11-trichlorosilylundecanoate
PubChem CID153492498
Molecular FormulaC18H25Cl3FNO4Si
Molecular Weight472.84 g/mol
Exact Mass471.06
IUPAC Name(2-nitrophenyl)methyl 2-fluoro-11-trichlorosilylundecanoate
SMILESO=C(OCc1ccccc1[N+](=O)[O-])C(F)CCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C18H25Cl3FNO4Si/c19-28(20,21)13-9-5-3-1-2-4-6-11-16(22)18(24)27-14-15-10-7-8-12-17(15)23(25)26/h7-8,10,12,16H,1-6,9,11,13-14H2
InChIKeyCXBYDPZCSTZSBA-UHFFFAOYSA-N
XLogP6.75
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.84
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze (2-nitrophenyl)methyl 2-fluoro-11-trichlorosilylundecanoate 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

(2-nitrophenyl)methyl 2,2-dihydroxyacetate
CID 70483540
(2-nitrophenyl)methyl 5-[dichloro(methyl)silyl]pentanoate
CID 68519057
(2-nitrophenyl)methyl carbamate
CID 21490181
2-[(2-nitrophenyl)methoxy]-2-oxoacetic acid
CID 166021267
6-[(2-nitrophenyl)methoxycarbonylamino]hexanoic acid
CID 175958630
(2-nitrophenyl)methyl N,N-di(heptan-2-yl)carbamate
CID 122693836
(2-nitrophenyl)methyl 2-phenylacetate
CID 2752985
(2-nitrophenyl)methyl deuteriophosphanylformate
CID 59423019
(2-nitrophenyl)methyl 3,4-dichlorobenzoate
CID 7864693
(2-nitrophenyl)methyl N,N-di(nonan-4-yl)carbamate
CID 122693825
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
bis[(2-nitrophenyl)methyl] piperazine-1,4-dicarboxylate
CID 87193432

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)methyl 2-fluoro-11-trichlorosilylundecanoate?
The IUPAC name of (2-nitrophenyl)methyl 2-fluoro-11-trichlorosilylundecanoate (CID 153492498) is (2-nitrophenyl)methyl 2-fluoro-11-trichlorosilylundecanoate.
What is the SMILES notation for (2-nitrophenyl)methyl 2-fluoro-11-trichlorosilylundecanoate?
The canonical SMILES for (2-nitrophenyl)methyl 2-fluoro-11-trichlorosilylundecanoate is O=C(OCc1ccccc1[N+](=O)[O-])C(F)CCCCCCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of (2-nitrophenyl)methyl 2-fluoro-11-trichlorosilylundecanoate?
The InChIKey is CXBYDPZCSTZSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl3FNO4Si/c19-28(20,21)13-9-5-3-1-2-4-6-11-16(22)18(24)27-14-15-10-7-8-12-17(15)23(25)26/h7-8,10,12,16H,1-6,9,11,13-14H2.
What are the key properties of (2-nitrophenyl)methyl 2-fluoro-11-trichlorosilylundecanoate?
(2-nitrophenyl)methyl 2-fluoro-11-trichlorosilylundecanoate has a molecular weight of 472.84 g/mol, XLogP of 6.75, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)methyl 2-fluoro-11-trichlorosilylundecanoate is sourced from PubChem (CID 153492498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).