[3-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-tributylstannylphenyl]methanamine

C24H39F6NO2Sn — CID 87358663

IUPAC[3-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-tributylstannylphenyl]methanamine
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(CN)cc1C(OCOC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H12F6NO2.3C4H9.Sn/c1-20-7-21-10(11(13,14)15,12(16,17)18)9-4-2-3-8(5-9)6-19;3*1-3-4-2;/h2-3,5H,6-7,19H2,1H3;3*1,3-4H2,2H3;
InChIKeyYEYNWRZYVDUEFV-UHFFFAOYSA-N
MW606.28 g/mol
LogP7.14
Rot. Bonds15

About [3-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-tributylstannylphenyl]methanamine

[3-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-tributylstannylphenyl]methanamine (PubChem CID 87358663) has the molecular formula C24H39F6NO2Sn and a molecular weight of 606.28 g/mol. Its IUPAC name is [3-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-tributylstannylphenyl]methanamine.

Molecular Properties

Compound Name[3-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-tributylstannylphenyl]methanamine
PubChem CID87358663
Molecular FormulaC24H39F6NO2Sn
Molecular Weight606.28 g/mol
Exact Mass607.19
IUPAC Name[3-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-tributylstannylphenyl]methanamine
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(CN)cc1C(OCOC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H12F6NO2.3C4H9.Sn/c1-20-7-21-10(11(13,14)15,12(16,17)18)9-4-2-3-8(5-9)6-19;3*1-3-4-2;/h2-3,5H,6-7,19H2,1H3;3*1,3-4H2,2H3;
InChIKeyYEYNWRZYVDUEFV-UHFFFAOYSA-N
XLogP7.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.28
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-tributylstannylphenyl]methanamine?
The IUPAC name of [3-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-tributylstannylphenyl]methanamine (CID 87358663) is [3-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-tributylstannylphenyl]methanamine.
What is the SMILES notation for [3-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-tributylstannylphenyl]methanamine?
The canonical SMILES for [3-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-tributylstannylphenyl]methanamine is CCCC[Sn](CCCC)(CCCC)c1ccc(CN)cc1C(OCOC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [3-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-tributylstannylphenyl]methanamine?
The InChIKey is YEYNWRZYVDUEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6NO2.3C4H9.Sn/c1-20-7-21-10(11(13,14)15,12(16,17)18)9-4-2-3-8(5-9)6-19;3*1-3-4-2;/h2-3,5H,6-7,19H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of [3-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-tributylstannylphenyl]methanamine?
[3-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-tributylstannylphenyl]methanamine has a molecular weight of 606.28 g/mol, XLogP of 7.14, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-4-tributylstannylphenyl]methanamine is sourced from PubChem (CID 87358663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).