(3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-1,4-dien-3-amine

C23H32F7NOSi — CID 134813823

IUPAC(3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-1,4-dien-3-amine
SMILESC=C[C@H](NCc1ccccc1)/C(=C/CCC(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H32F7NOSi/c1-7-18(31-16-17-12-9-8-10-13-17)19(32-33(5,6)20(2,3)4)14-11-15-21(24,25)22(26,27)23(28,29)30/h7-10,12-14,18,31H,1,11,15-16H2,2-6H3/b19-14-/t18-/m0/s1
InChIKeyOAVDKFQDEXJVDJ-OWBBTNHHSA-N
MW499.59 g/mol
LogP7.85
Rot. Bonds11

About (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-1,4-dien-3-amine

(3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-1,4-dien-3-amine (PubChem CID 134813823) has the molecular formula C23H32F7NOSi and a molecular weight of 499.59 g/mol. Its IUPAC name is (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-1,4-dien-3-amine.

Molecular Properties

Compound Name(3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-1,4-dien-3-amine
PubChem CID134813823
Molecular FormulaC23H32F7NOSi
Molecular Weight499.59 g/mol
Exact Mass499.21
IUPAC Name(3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-1,4-dien-3-amine
SMILESC=C[C@H](NCc1ccccc1)/C(=C/CCC(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H32F7NOSi/c1-7-18(31-16-17-12-9-8-10-13-17)19(32-33(5,6)20(2,3)4)14-11-15-21(24,25)22(26,27)23(28,29)30/h7-10,12-14,18,31H,1,11,15-16H2,2-6H3/b19-14-/t18-/m0/s1
InChIKeyOAVDKFQDEXJVDJ-OWBBTNHHSA-N
XLogP7.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.59
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-1,4-dien-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-1,4-dien-3-amine?
The IUPAC name of (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-1,4-dien-3-amine (CID 134813823) is (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-1,4-dien-3-amine.
What is the SMILES notation for (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-1,4-dien-3-amine?
The canonical SMILES for (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-1,4-dien-3-amine is C=C[C@H](NCc1ccccc1)/C(=C/CCC(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-1,4-dien-3-amine?
The InChIKey is OAVDKFQDEXJVDJ-OWBBTNHHSA-N. The full InChI is InChI=1S/C23H32F7NOSi/c1-7-18(31-16-17-12-9-8-10-13-17)19(32-33(5,6)20(2,3)4)14-11-15-21(24,25)22(26,27)23(28,29)30/h7-10,12-14,18,31H,1,11,15-16H2,2-6H3/b19-14-/t18-/m0/s1.
What are the key properties of (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-1,4-dien-3-amine?
(3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-1,4-dien-3-amine has a molecular weight of 499.59 g/mol, XLogP of 7.85, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4Z)-N-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-8,8,9,9,10,10,10-heptafluorodeca-1,4-dien-3-amine is sourced from PubChem (CID 134813823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).