CID 20663586

C21H31F2Si — CID 20663586

IUPAC—
SMILESCc1ccc(C2CCC(C3CC[Si](CCCF)CC3)CC2)cc1F
InChIInChI=1S/C21H31F2Si/c1-16-3-4-20(15-21(16)23)18-7-5-17(6-8-18)19-9-13-24(14-10-19)12-2-11-22/h3-4,15,17-19H,2,5-14H2,1H3
InChIKeyCFDRDDICVOKXBF-UHFFFAOYSA-N
MW349.56 g/mol
LogP6.67
Rot. Bonds5

About CID 20663586

CID 20663586 (PubChem CID 20663586) has the molecular formula C21H31F2Si and a molecular weight of 349.56 g/mol.

Molecular Properties

Compound NameCID 20663586
PubChem CID20663586
Molecular FormulaC21H31F2Si
Molecular Weight349.56 g/mol
Exact Mass349.22
IUPAC Name—
SMILESCc1ccc(C2CCC(C3CC[Si](CCCF)CC3)CC2)cc1F
InChIInChI=1S/C21H31F2Si/c1-16-3-4-20(15-21(16)23)18-7-5-17(6-8-18)19-9-13-24(14-10-19)12-2-11-22/h3-4,15,17-19H,2,5-14H2,1H3
InChIKeyCFDRDDICVOKXBF-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 56.67
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

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2,3',4',5'-Tetrafluoro-4-(4'-propyl-[1,1'-bi(cyclohexan)]-4-yl)-1,1'-biphenyl
CID 15389837
Benzene, 1-[(trans,trans)-4'-ethyl[1,1'-bicyclohexyl]-4-yl]-2,3-difluoro-4-methyl-
CID 22184030
4-(trans-4-Ethylcyclohexyl)-2,3',4',5'-tetrafluorbiphenyl
CID 23572264
1~4~-Ethyl-3~3~,3~4~-difluoro-1~1~,1~2~,1~3~,1~4~,1~5~,1~6~,2~1~,2~2~,2~3~,2~4~,2~5~,2~6~-dodecahydro-1~1~,2~1~:2~4~,3~1~-terphenyl
CID 550421
1-Fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 578934
1-Fluoro-4-(4-heptylcyclohexyl)benzene
CID 578935
1-Fluoro-4-(4-pentylcyclohexyl)benzene
CID 578937
3~3~,3~4~-Difluoro-1~4~-propyl-1~1~,1~2~,1~3~,1~4~,1~5~,1~6~,2~1~,2~2~,2~3~,2~4~,2~5~,2~6~-dodecahydro-1~1~,2~1~:2~4~,3~1~-terphenyl
CID 581325
3~3~,3~4~-Difluoro-1~4~-pentyl-1~1~,1~2~,1~3~,1~4~,1~5~,1~6~,2~1~,2~2~,2~3~,2~4~,2~5~,2~6~-dodecahydro-1~1~,2~1~:2~4~,3~1~-terphenyl
CID 581521
1,2-Difluoro-4-(4-heptylcyclohexyl)benzene
CID 587773
1,2-Difluoro-4-(trans-4-(2-(trans-4-pentylcyclohexyl)ethyl)cyclohexyl)benzene
CID 587774

Frequently Asked Questions

What is the IUPAC name of CID 20663586?
The IUPAC name of CID 20663586 (CID 20663586) is not available.
What is the SMILES notation for CID 20663586?
The canonical SMILES for CID 20663586 is Cc1ccc(C2CCC(C3CC[Si](CCCF)CC3)CC2)cc1F.
What is the InChIKey of CID 20663586?
The InChIKey is CFDRDDICVOKXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F2Si/c1-16-3-4-20(15-21(16)23)18-7-5-17(6-8-18)19-9-13-24(14-10-19)12-2-11-22/h3-4,15,17-19H,2,5-14H2,1H3.
What are the key properties of CID 20663586?
CID 20663586 has a molecular weight of 349.56 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20663586 is sourced from PubChem (CID 20663586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).