CID 90174033

C18H21F2O2Si — CID 90174033

IUPAC—
SMILESCCCO[Si](OCCC)c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H21F2O2Si/c1-3-11-21-23(22-12-4-2)16-8-5-14(6-9-16)15-7-10-17(19)18(20)13-15/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyTXAQSQRKKKKVQG-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.18
Rot. Bonds8

About CID 90174033

CID 90174033 (PubChem CID 90174033) has the molecular formula C18H21F2O2Si and a molecular weight of 335.45 g/mol.

Molecular Properties

Compound NameCID 90174033
PubChem CID90174033
Molecular FormulaC18H21F2O2Si
Molecular Weight335.45 g/mol
Exact Mass335.13
IUPAC Name—
SMILESCCCO[Si](OCCC)c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H21F2O2Si/c1-3-11-21-23(22-12-4-2)16-8-5-14(6-9-16)15-7-10-17(19)18(20)13-15/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyTXAQSQRKKKKVQG-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene
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CID 67685723
[4-(3,4-difluorophenyl)phenyl]-diethoxy-methoxysilane
CID 90171356
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
[4-(3,4-difluorophenyl)phenyl]methanamine
CID 61033518
5-(3,4-difluorophenyl)-2-ethylaniline
CID 82082698
CID 22924588
CID 22924588
N-[[2-fluoro-5-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 63425036

Frequently Asked Questions

What is the IUPAC name of CID 90174033?
The IUPAC name of CID 90174033 (CID 90174033) is not available.
What is the SMILES notation for CID 90174033?
The canonical SMILES for CID 90174033 is CCCO[Si](OCCC)c1ccc(-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of CID 90174033?
The InChIKey is TXAQSQRKKKKVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2O2Si/c1-3-11-21-23(22-12-4-2)16-8-5-14(6-9-16)15-7-10-17(19)18(20)13-15/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of CID 90174033?
CID 90174033 has a molecular weight of 335.45 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90174033 is sourced from PubChem (CID 90174033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).