CID 67579536

C24H35F4OSi — CID 67579536

IUPAC—
SMILESFCCCC[Si]1CCC(CCC2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H35F4OSi/c25-15-1-2-16-30-17-13-20(14-18-30)4-3-19-5-7-21(8-6-19)22-9-11-23(12-10-22)29-24(26,27)28/h9-12,19-21H,1-8,13-18H2
InChIKeyWIJWVJKHGCUSHS-UHFFFAOYSA-N
MW443.62 g/mol
LogP8.29
Rot. Bonds9

About CID 67579536

CID 67579536 (PubChem CID 67579536) has the molecular formula C24H35F4OSi and a molecular weight of 443.62 g/mol.

Molecular Properties

Compound NameCID 67579536
PubChem CID67579536
Molecular FormulaC24H35F4OSi
Molecular Weight443.62 g/mol
Exact Mass443.24
IUPAC Name—
SMILESFCCCC[Si]1CCC(CCC2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1
InChIInChI=1S/C24H35F4OSi/c25-15-1-2-16-30-17-13-20(14-18-30)4-3-19-5-7-21(8-6-19)22-9-11-23(12-10-22)29-24(26,27)28/h9-12,19-21H,1-8,13-18H2
InChIKeyWIJWVJKHGCUSHS-UHFFFAOYSA-N
XLogP8.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.62
LogP ≤ 58.29
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

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CID 23364743
1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene
CID 23539864
(Z)-2-fluoro-3-[4-[2-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]ethyl]cyclohexyl]prop-2-enenitrile
CID 67590520
1-[4-(3-methylbutyl)cyclohexyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19702461
1-(4-ethylcyclohexyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 67864736
1-(4-heptylcyclohexyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 67864922
1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene
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1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 91212587
2-[2-(4-propylcyclohexyl)ethyl]-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837145
9-pentyl-3-[4-(trifluoromethoxy)phenyl]spiro[5.5]undecane
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Frequently Asked Questions

What is the IUPAC name of CID 67579536?
The IUPAC name of CID 67579536 (CID 67579536) is not available.
What is the SMILES notation for CID 67579536?
The canonical SMILES for CID 67579536 is FCCCC[Si]1CCC(CCC2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1.
What is the InChIKey of CID 67579536?
The InChIKey is WIJWVJKHGCUSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F4OSi/c25-15-1-2-16-30-17-13-20(14-18-30)4-3-19-5-7-21(8-6-19)22-9-11-23(12-10-22)29-24(26,27)28/h9-12,19-21H,1-8,13-18H2.
What are the key properties of CID 67579536?
CID 67579536 has a molecular weight of 443.62 g/mol, XLogP of 8.29, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67579536 is sourced from PubChem (CID 67579536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).