CID 90174130

C14H20F3O3Si — CID 90174130

IUPAC—
SMILESCO[Si](OC)OC(C)CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3O3Si/c1-11(20-21(18-2)19-3)6-4-7-12-8-5-9-13(10-12)14(15,16)17/h5,8-11H,4,6-7H2,1-3H3
InChIKeyISXKMFABCQAHEU-UHFFFAOYSA-N
MW321.39 g/mol
LogP3.71
Rot. Bonds8

About CID 90174130

CID 90174130 (PubChem CID 90174130) has the molecular formula C14H20F3O3Si and a molecular weight of 321.39 g/mol.

Molecular Properties

Compound NameCID 90174130
PubChem CID90174130
Molecular FormulaC14H20F3O3Si
Molecular Weight321.39 g/mol
Exact Mass321.11
IUPAC Name—
SMILESCO[Si](OC)OC(C)CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3O3Si/c1-11(20-21(18-2)19-3)6-4-7-12-8-5-9-13(10-12)14(15,16)17/h5,8-11H,4,6-7H2,1-3H3
InChIKeyISXKMFABCQAHEU-UHFFFAOYSA-N
XLogP3.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 53.71
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

1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene
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1-[3-(trifluoromethyl)phenyl]heptan-4-ol
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methoxy-dimethyl-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90172470
1-(4-chloro-3-methylbutyl)-3-(trifluoromethyl)benzene
CID 64665255
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90173460
1-(4-bromo-4-phenylbutyl)-3-(trifluoromethyl)benzene
CID 64506557
5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine
CID 105123547
CID 90174356
CID 90174356
N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 55134831
3-[3-(trifluoromethyl)phenyl]propylsilyloxymethanediol
CID 162546346
CID 90171032
CID 90171032

Frequently Asked Questions

What is the IUPAC name of CID 90174130?
The IUPAC name of CID 90174130 (CID 90174130) is not available.
What is the SMILES notation for CID 90174130?
The canonical SMILES for CID 90174130 is CO[Si](OC)OC(C)CCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of CID 90174130?
The InChIKey is ISXKMFABCQAHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3O3Si/c1-11(20-21(18-2)19-3)6-4-7-12-8-5-9-13(10-12)14(15,16)17/h5,8-11H,4,6-7H2,1-3H3.
What are the key properties of CID 90174130?
CID 90174130 has a molecular weight of 321.39 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90174130 is sourced from PubChem (CID 90174130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).