CID 90172032

C10H13F2O3Si — CID 90172032

IUPAC—
SMILESCO[Si](OC)OCCc1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2O3Si/c1-13-16(14-2)15-6-5-8-3-4-9(11)10(12)7-8/h3-4,7H,5-6H2,1-2H3
InChIKeyKQQMSONNVBZJCG-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.80
Rot. Bonds6

About CID 90172032

CID 90172032 (PubChem CID 90172032) has the molecular formula C10H13F2O3Si and a molecular weight of 247.29 g/mol.

Molecular Properties

Compound NameCID 90172032
PubChem CID90172032
Molecular FormulaC10H13F2O3Si
Molecular Weight247.29 g/mol
Exact Mass247.06
IUPAC Name—
SMILESCO[Si](OC)OCCc1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2O3Si/c1-13-16(14-2)15-6-5-8-3-4-9(11)10(12)7-8/h3-4,7H,5-6H2,1-2H3
InChIKeyKQQMSONNVBZJCG-UHFFFAOYSA-N
XLogP1.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 90171880
CID 90171880
3-(3,4-difluorophenyl)-N-(2-methoxyethoxy)propanamide
CID 79676471
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CID 66523804
1,2-difluoro-4-(2-methylsulfanylethyl)benzene
CID 130735643
4-(3,3-dimethylbutyl)-1,2-difluorobenzene
CID 59999811
O-[2-[3-fluoro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
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O-[(3,4-difluorophenyl)methyl]hydroxylamine
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Frequently Asked Questions

What is the IUPAC name of CID 90172032?
The IUPAC name of CID 90172032 (CID 90172032) is not available.
What is the SMILES notation for CID 90172032?
The canonical SMILES for CID 90172032 is CO[Si](OC)OCCc1ccc(F)c(F)c1.
What is the InChIKey of CID 90172032?
The InChIKey is KQQMSONNVBZJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2O3Si/c1-13-16(14-2)15-6-5-8-3-4-9(11)10(12)7-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of CID 90172032?
CID 90172032 has a molecular weight of 247.29 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90172032 is sourced from PubChem (CID 90172032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).