4-(8-aza-5-silanuidaspiro[4.5]decan-8-yl)-3,5-difluoroaniline

C14H21F2N2Si- — CID 163658782

IUPAC4-(8-aza-5-silanuidaspiro[4.5]decan-8-yl)-3,5-difluoroaniline
SMILESNc1cc(F)c(N2CC[SiH-]3(CCCC3)CC2)c(F)c1
InChIInChI=1S/C14H21F2N2Si/c15-12-9-11(17)10-13(16)14(12)18-3-7-19(8-4-18)5-1-2-6-19/h9-10,19H,1-8,17H2/q-1
InChIKeyISOVNJKYWMZAFV-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.34
Rot. Bonds1

About 4-(8-aza-5-silanuidaspiro[4.5]decan-8-yl)-3,5-difluoroaniline

4-(8-aza-5-silanuidaspiro[4.5]decan-8-yl)-3,5-difluoroaniline (PubChem CID 163658782) has the molecular formula C14H21F2N2Si- and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-(8-aza-5-silanuidaspiro[4.5]decan-8-yl)-3,5-difluoroaniline.

Molecular Properties

Compound Name4-(8-aza-5-silanuidaspiro[4.5]decan-8-yl)-3,5-difluoroaniline
PubChem CID163658782
Molecular FormulaC14H21F2N2Si-
Molecular Weight283.42 g/mol
Exact Mass283.14
IUPAC Name4-(8-aza-5-silanuidaspiro[4.5]decan-8-yl)-3,5-difluoroaniline
SMILESNc1cc(F)c(N2CC[SiH-]3(CCCC3)CC2)c(F)c1
InChIInChI=1S/C14H21F2N2Si/c15-12-9-11(17)10-13(16)14(12)18-3-7-19(8-4-18)5-1-2-6-19/h9-10,19H,1-8,17H2/q-1
InChIKeyISOVNJKYWMZAFV-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(8-aza-5-silanuidaspiro[4.5]decan-8-yl)-3,5-difluoroaniline?
The IUPAC name of 4-(8-aza-5-silanuidaspiro[4.5]decan-8-yl)-3,5-difluoroaniline (CID 163658782) is 4-(8-aza-5-silanuidaspiro[4.5]decan-8-yl)-3,5-difluoroaniline.
What is the SMILES notation for 4-(8-aza-5-silanuidaspiro[4.5]decan-8-yl)-3,5-difluoroaniline?
The canonical SMILES for 4-(8-aza-5-silanuidaspiro[4.5]decan-8-yl)-3,5-difluoroaniline is Nc1cc(F)c(N2CC[SiH-]3(CCCC3)CC2)c(F)c1.
What is the InChIKey of 4-(8-aza-5-silanuidaspiro[4.5]decan-8-yl)-3,5-difluoroaniline?
The InChIKey is ISOVNJKYWMZAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N2Si/c15-12-9-11(17)10-13(16)14(12)18-3-7-19(8-4-18)5-1-2-6-19/h9-10,19H,1-8,17H2/q-1.
What are the key properties of 4-(8-aza-5-silanuidaspiro[4.5]decan-8-yl)-3,5-difluoroaniline?
4-(8-aza-5-silanuidaspiro[4.5]decan-8-yl)-3,5-difluoroaniline has a molecular weight of 283.42 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-aza-5-silanuidaspiro[4.5]decan-8-yl)-3,5-difluoroaniline is sourced from PubChem (CID 163658782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).