[1-(3,5-dichloro-4-pyridinyl)-4-[(1R)-2,2-difluorocyclopropyl]butoxy]-triethylsilane

C18H27Cl2F2NOSi — CID 160939533

IUPAC[1-(3,5-dichloro-4-pyridinyl)-4-[(1R)-2,2-difluorocyclopropyl]butoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(CCC[C@@H]1CC1(F)F)c1c(Cl)cncc1Cl
InChIInChI=1S/C18H27Cl2F2NOSi/c1-4-25(5-2,6-3)24-16(9-7-8-13-10-18(13,21)22)17-14(19)11-23-12-15(17)20/h11-13,16H,4-10H2,1-3H3/t13-,16?/m1/s1
InChIKeySUIANTQRRLANBI-JBZHPUCOSA-N
MW410.41 g/mol
LogP7.28
Rot. Bonds10

About [1-(3,5-dichloro-4-pyridinyl)-4-[(1R)-2,2-difluorocyclopropyl]butoxy]-triethylsilane

[1-(3,5-dichloro-4-pyridinyl)-4-[(1R)-2,2-difluorocyclopropyl]butoxy]-triethylsilane (PubChem CID 160939533) has the molecular formula C18H27Cl2F2NOSi and a molecular weight of 410.41 g/mol. Its IUPAC name is [1-(3,5-dichloro-4-pyridinyl)-4-[(1R)-2,2-difluorocyclopropyl]butoxy]-triethylsilane.

Molecular Properties

Compound Name[1-(3,5-dichloro-4-pyridinyl)-4-[(1R)-2,2-difluorocyclopropyl]butoxy]-triethylsilane
PubChem CID160939533
Molecular FormulaC18H27Cl2F2NOSi
Molecular Weight410.41 g/mol
Exact Mass409.12
IUPAC Name[1-(3,5-dichloro-4-pyridinyl)-4-[(1R)-2,2-difluorocyclopropyl]butoxy]-triethylsilane
SMILESCC[Si](CC)(CC)OC(CCC[C@@H]1CC1(F)F)c1c(Cl)cncc1Cl
InChIInChI=1S/C18H27Cl2F2NOSi/c1-4-25(5-2,6-3)24-16(9-7-8-13-10-18(13,21)22)17-14(19)11-23-12-15(17)20/h11-13,16H,4-10H2,1-3H3/t13-,16?/m1/s1
InChIKeySUIANTQRRLANBI-JBZHPUCOSA-N
XLogP7.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.41
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dichloro-4-pyridinyl)-4-[(1R)-2,2-difluorocyclopropyl]butoxy]-triethylsilane?
The IUPAC name of [1-(3,5-dichloro-4-pyridinyl)-4-[(1R)-2,2-difluorocyclopropyl]butoxy]-triethylsilane (CID 160939533) is [1-(3,5-dichloro-4-pyridinyl)-4-[(1R)-2,2-difluorocyclopropyl]butoxy]-triethylsilane.
What is the SMILES notation for [1-(3,5-dichloro-4-pyridinyl)-4-[(1R)-2,2-difluorocyclopropyl]butoxy]-triethylsilane?
The canonical SMILES for [1-(3,5-dichloro-4-pyridinyl)-4-[(1R)-2,2-difluorocyclopropyl]butoxy]-triethylsilane is CC[Si](CC)(CC)OC(CCC[C@@H]1CC1(F)F)c1c(Cl)cncc1Cl.
What is the InChIKey of [1-(3,5-dichloro-4-pyridinyl)-4-[(1R)-2,2-difluorocyclopropyl]butoxy]-triethylsilane?
The InChIKey is SUIANTQRRLANBI-JBZHPUCOSA-N. The full InChI is InChI=1S/C18H27Cl2F2NOSi/c1-4-25(5-2,6-3)24-16(9-7-8-13-10-18(13,21)22)17-14(19)11-23-12-15(17)20/h11-13,16H,4-10H2,1-3H3/t13-,16?/m1/s1.
What are the key properties of [1-(3,5-dichloro-4-pyridinyl)-4-[(1R)-2,2-difluorocyclopropyl]butoxy]-triethylsilane?
[1-(3,5-dichloro-4-pyridinyl)-4-[(1R)-2,2-difluorocyclopropyl]butoxy]-triethylsilane has a molecular weight of 410.41 g/mol, XLogP of 7.28, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dichloro-4-pyridinyl)-4-[(1R)-2,2-difluorocyclopropyl]butoxy]-triethylsilane is sourced from PubChem (CID 160939533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).