4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane

C31H45F3OSi — CID 173311068

IUPAC4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane
SMILESCCCCCCCC(C)Oc1c(F)cc(-c2ccc(C3CC[SiH](CCCC(C)F)CC3)cc2)cc1F
InChIInChI=1S/C31H45F3OSi/c1-4-5-6-7-8-11-24(3)35-31-29(33)21-28(22-30(31)34)26-14-12-25(13-15-26)27-16-19-36(20-17-27)18-9-10-23(2)32/h12-15,21-24,27,36H,4-11,16-20H2,1-3H3
InChIKeySRJZGBOXXFNFOP-UHFFFAOYSA-N
MW518.78 g/mol
LogP10.00
Rot. Bonds14

About 4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane

4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane (PubChem CID 173311068) has the molecular formula C31H45F3OSi and a molecular weight of 518.78 g/mol. Its IUPAC name is 4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane.

Molecular Properties

Compound Name4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane
PubChem CID173311068
Molecular FormulaC31H45F3OSi
Molecular Weight518.78 g/mol
Exact Mass518.32
IUPAC Name4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane
SMILESCCCCCCCC(C)Oc1c(F)cc(-c2ccc(C3CC[SiH](CCCC(C)F)CC3)cc2)cc1F
InChIInChI=1S/C31H45F3OSi/c1-4-5-6-7-8-11-24(3)35-31-29(33)21-28(22-30(31)34)26-14-12-25(13-15-26)27-16-19-36(20-17-27)18-9-10-23(2)32/h12-15,21-24,27,36H,4-11,16-20H2,1-3H3
InChIKeySRJZGBOXXFNFOP-UHFFFAOYSA-N
XLogP10.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.78
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-difluoro-5-[4-[4-[(E)-3-methylpent-1-enyl]cyclohexyl]phenyl]-2-octan-2-yloxybenzene
CID 20750952
4-[4-[4-(3,4-difluorophenyl)phenyl]cyclohexyl]-1-pentylsilinane
CID 54727604
4-(4-fluorophenyl)-1-heptylsilinane
CID 54037116
4-[4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]phenyl]-1-pentylsilinane
CID 54735607
4-(3,5-difluoro-4-nonan-2-yloxyphenyl)-1-(4-heptylcyclohexyl)silinane
CID 173310554
1-[4-(4-ethylcyclohexyl)phenyl]-3-fluoro-5-[(2S)-octan-2-yl]oxybenzene
CID 139820373
4-[4-(3,4-difluorophenyl)phenyl]-1-propylsilinane
CID 22875775
4-[2-[4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]phenyl]-2-fluorophenyl]ethyl]-1-pentylsilinane
CID 22867214
2-decan-2-yloxy-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 20683472
1-[4-(3,5-difluoro-4-octan-2-yloxyphenyl)phenyl]-4-propylbicyclo[2.2.2]octane
CID 20816614
1,3-difluoro-2-hexan-2-yloxy-5-(4-propan-2-ylcyclohexyl)benzene
CID 143772778
4-(4-bromo-3-fluorophenyl)-1-pentylsilinane
CID 54737119

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane?
The IUPAC name of 4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane (CID 173311068) is 4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane.
What is the SMILES notation for 4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane?
The canonical SMILES for 4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane is CCCCCCCC(C)Oc1c(F)cc(-c2ccc(C3CC[SiH](CCCC(C)F)CC3)cc2)cc1F.
What is the InChIKey of 4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane?
The InChIKey is SRJZGBOXXFNFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45F3OSi/c1-4-5-6-7-8-11-24(3)35-31-29(33)21-28(22-30(31)34)26-14-12-25(13-15-26)27-16-19-36(20-17-27)18-9-10-23(2)32/h12-15,21-24,27,36H,4-11,16-20H2,1-3H3.
What are the key properties of 4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane?
4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane has a molecular weight of 518.78 g/mol, XLogP of 10.00, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-difluoro-4-nonan-2-yloxyphenyl)phenyl]-1-(4-fluoropentyl)silinane is sourced from PubChem (CID 173311068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).