4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane

C23H38F2Si — CID 54554709

IUPAC4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane
SMILESCCCCCCC[SiH]1CCC(c2cc(F)c(C[C@@H](C)CC)c(F)c2)CC1
InChIInChI=1S/C23H38F2Si/c1-4-6-7-8-9-12-26-13-10-19(11-14-26)20-16-22(24)21(23(25)17-20)15-18(3)5-2/h16-19,26H,4-15H2,1-3H3/t18-,19?,26?/m0/s1
InChIKeyZMJCUQYZUNAFAF-IXQXIYAPSA-N
MW380.64 g/mol
LogP7.63
Rot. Bonds10

About 4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane

4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane (PubChem CID 54554709) has the molecular formula C23H38F2Si and a molecular weight of 380.64 g/mol. Its IUPAC name is 4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane.

Molecular Properties

Compound Name4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane
PubChem CID54554709
Molecular FormulaC23H38F2Si
Molecular Weight380.64 g/mol
Exact Mass380.27
IUPAC Name4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane
SMILESCCCCCCC[SiH]1CCC(c2cc(F)c(C[C@@H](C)CC)c(F)c2)CC1
InChIInChI=1S/C23H38F2Si/c1-4-6-7-8-9-12-26-13-10-19(11-14-26)20-16-22(24)21(23(25)17-20)15-18(3)5-2/h16-19,26H,4-15H2,1-3H3/t18-,19?,26?/m0/s1
InChIKeyZMJCUQYZUNAFAF-IXQXIYAPSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.64
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-fluorophenyl)-1-heptylsilinane
CID 54037116
4-(4-bromo-3-fluorophenyl)-1-pentylsilinane
CID 54737119
4-[4-[4-[(2S)-2-methylbutyl]phenyl]cyclohexyl]-1-pentylsilinane
CID 54334262
(4-fluorophenyl) 2,6-difluoro-4-(1-pentylsilinan-4-yl)benzoate
CID 54356523
4-[4-(2,2-difluoroethoxy)phenyl]-1-heptylsilinane
CID 54164040
4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane
CID 54735607
4-[4-[4-[2-(3,4-difluorophenyl)ethyl]phenyl]-3-fluorophenyl]-1-pentylsilinane
CID 54731965
4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane
CID 54726532
4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane
CID 54727604
4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane
CID 173311068
4-[4-(2,2-difluoroethoxy)-3-fluorophenyl]-1-(5-methoxypentyl)silinane
CID 54736791
1-(3-bromopropyl)-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]silinane
CID 54200175

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane?
The IUPAC name of 4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane (CID 54554709) is 4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane.
What is the SMILES notation for 4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane?
The canonical SMILES for 4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane is CCCCCCC[SiH]1CCC(c2cc(F)c(C[C@@H](C)CC)c(F)c2)CC1.
What is the InChIKey of 4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane?
The InChIKey is ZMJCUQYZUNAFAF-IXQXIYAPSA-N. The full InChI is InChI=1S/C23H38F2Si/c1-4-6-7-8-9-12-26-13-10-19(11-14-26)20-16-22(24)21(23(25)17-20)15-18(3)5-2/h16-19,26H,4-15H2,1-3H3/t18-,19?,26?/m0/s1.
What are the key properties of 4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane?
4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane has a molecular weight of 380.64 g/mol, XLogP of 7.63, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-difluoro-4-[(2S)-2-methylbutyl]phenyl]-1-heptylsilinane is sourced from PubChem (CID 54554709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).