[8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]methyl-trimethylstannane

C16H20ClFO2Sn — CID 169225350

IUPAC[8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]methyl-trimethylstannane
SMILESCOCOc1cc(C[Sn](C)(C)C)c2c(Cl)c(F)ccc2c1
InChIInChI=1S/C13H11ClFO2.3CH3.Sn/c1-8-5-10(17-7-16-2)6-9-3-4-11(15)13(14)12(8)9;;;;/h3-6H,1,7H2,2H3;3*1H3;
InChIKeyPNGVOARDUURXAW-UHFFFAOYSA-N
MW417.50 g/mol
LogP5.03
Rot. Bonds5

About [8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]methyl-trimethylstannane

[8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]methyl-trimethylstannane (PubChem CID 169225350) has the molecular formula C16H20ClFO2Sn and a molecular weight of 417.50 g/mol. Its IUPAC name is [8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]methyl-trimethylstannane.

Molecular Properties

Compound Name[8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]methyl-trimethylstannane
PubChem CID169225350
Molecular FormulaC16H20ClFO2Sn
Molecular Weight417.50 g/mol
Exact Mass418.02
IUPAC Name[8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]methyl-trimethylstannane
SMILESCOCOc1cc(C[Sn](C)(C)C)c2c(Cl)c(F)ccc2c1
InChIInChI=1S/C13H11ClFO2.3CH3.Sn/c1-8-5-10(17-7-16-2)6-9-3-4-11(15)13(14)12(8)9;;;;/h3-6H,1,7H2,2H3;3*1H3;
InChIKeyPNGVOARDUURXAW-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.50
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

7-chloro-8-fluoro-3-(methoxymethoxy)naphthalen-1-ol
CID 169315137
[2,6-difluoro-4-(methoxymethoxy)phenyl]-trimethylsilane
CID 84820749
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358
[8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] 2,2-dimethylbutanoate
CID 176690484
CID 172634640
CID 172634640
2-[8-chloro-2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethyl 3-ethylhexanoate
CID 175816022
2-bromo-6-(methoxymethoxy)naphthalene
CID 14499197
2-fluoro-4-(methoxymethoxy)-1-methylbenzene
CID 54289403
3-[2-fluoro-6-(methoxymethoxy)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]propoxy-tri(propan-2-yl)silane
CID 177327511
1-bromo-8-(2-methoxyethyl)-3-(methoxymethoxy)naphthalene
CID 170004004
1,4-bis(methoxymethoxy)benzene
CID 542643
lithium 1-fluoro-3-(methoxymethoxy)benzene-5-ide
CID 23706805

Frequently Asked Questions

What is the IUPAC name of [8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]methyl-trimethylstannane?
The IUPAC name of [8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]methyl-trimethylstannane (CID 169225350) is [8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]methyl-trimethylstannane.
What is the SMILES notation for [8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]methyl-trimethylstannane?
The canonical SMILES for [8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]methyl-trimethylstannane is COCOc1cc(C[Sn](C)(C)C)c2c(Cl)c(F)ccc2c1.
What is the InChIKey of [8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]methyl-trimethylstannane?
The InChIKey is PNGVOARDUURXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFO2.3CH3.Sn/c1-8-5-10(17-7-16-2)6-9-3-4-11(15)13(14)12(8)9;;;;/h3-6H,1,7H2,2H3;3*1H3;.
What are the key properties of [8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]methyl-trimethylstannane?
[8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]methyl-trimethylstannane has a molecular weight of 417.50 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]methyl-trimethylstannane is sourced from PubChem (CID 169225350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).