CID 22404137

C22H25F2Si — CID 22404137

IUPAC—
SMILESC/C=C/[Si]1CCC(CCc2ccc(-c3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C22H25F2Si/c1-2-13-25-14-11-18(12-15-25)4-3-17-5-7-19(8-6-17)20-9-10-21(23)22(24)16-20/h2,5-10,13,16,18H,3-4,11-12,14-15H2,1H3/b13-2+
InChIKeyBQSPPISZYPAGRG-XNJYKOPJSA-N
MW355.52 g/mol
LogP6.58
Rot. Bonds5

About CID 22404137

CID 22404137 (PubChem CID 22404137) has the molecular formula C22H25F2Si and a molecular weight of 355.52 g/mol.

Molecular Properties

Compound NameCID 22404137
PubChem CID22404137
Molecular FormulaC22H25F2Si
Molecular Weight355.52 g/mol
Exact Mass355.17
IUPAC Name—
SMILESC/C=C/[Si]1CCC(CCc2ccc(-c3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C22H25F2Si/c1-2-13-25-14-11-18(12-15-25)4-3-17-5-7-19(8-6-17)20-9-10-21(23)22(24)16-20/h2,5-10,13,16,18H,3-4,11-12,14-15H2,1H3/b13-2+
InChIKeyBQSPPISZYPAGRG-XNJYKOPJSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.52
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
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4-[2-[4-(3,4-difluorophenyl)phenyl]ethyl]-1,1-diphenylsilinane
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5-[2-(4-but-2-enylcyclohexyl)ethyl]-2-(3,4-difluorophenyl)pyrimidine
CID 57168310
CID 22924542
CID 22924542
2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1-(trifluoromethyl)benzene
CID 20654453
4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene
CID 18984130
CID 20632338
CID 20632338
4-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 22437537
CID 18984144
CID 18984144
ethyl-[4-[2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]cyclohexyl]silane
CID 123749784

Frequently Asked Questions

What is the IUPAC name of CID 22404137?
The IUPAC name of CID 22404137 (CID 22404137) is not available.
What is the SMILES notation for CID 22404137?
The canonical SMILES for CID 22404137 is C/C=C/[Si]1CCC(CCc2ccc(-c3ccc(F)c(F)c3)cc2)CC1.
What is the InChIKey of CID 22404137?
The InChIKey is BQSPPISZYPAGRG-XNJYKOPJSA-N. The full InChI is InChI=1S/C22H25F2Si/c1-2-13-25-14-11-18(12-15-25)4-3-17-5-7-19(8-6-17)20-9-10-21(23)22(24)16-20/h2,5-10,13,16,18H,3-4,11-12,14-15H2,1H3/b13-2+.
What are the key properties of CID 22404137?
CID 22404137 has a molecular weight of 355.52 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22404137 is sourced from PubChem (CID 22404137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).