CID 90175207

C16H22F4O3Si — CID 90175207

IUPAC—
SMILESCC(C)OC(O[Si]CCCc1cc(F)c(F)c(F)c1F)OC(C)C
InChIInChI=1S/C16H22F4O3Si/c1-9(2)21-16(22-10(3)4)23-24-7-5-6-11-8-12(17)14(19)15(20)13(11)18/h8-10,16H,5-7H2,1-4H3
InChIKeyPRTIWYYRZYZQPO-UHFFFAOYSA-N
MW366.43 g/mol
LogP4.36
Rot. Bonds10

About CID 90175207

CID 90175207 (PubChem CID 90175207) has the molecular formula C16H22F4O3Si and a molecular weight of 366.43 g/mol.

Molecular Properties

Compound NameCID 90175207
PubChem CID90175207
Molecular FormulaC16H22F4O3Si
Molecular Weight366.43 g/mol
Exact Mass366.13
IUPAC Name—
SMILESCC(C)OC(O[Si]CCCc1cc(F)c(F)c(F)c1F)OC(C)C
InChIInChI=1S/C16H22F4O3Si/c1-9(2)21-16(22-10(3)4)23-24-7-5-6-11-8-12(17)14(19)15(20)13(11)18/h8-10,16H,5-7H2,1-4H3
InChIKeyPRTIWYYRZYZQPO-UHFFFAOYSA-N
XLogP4.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 90174869
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CID 90172645
CID 90170888
CID 90170888
di(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
CID 154500746
di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 154500752
CID 90175204
CID 90175204
CID 90170885
CID 90170885
4-(2,3,4,5-tetrafluorophenyl)butan-1-amine
CID 87970445
1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene
CID 91063618
CID 90172809
CID 90172809
1-[6-(2-ethoxypropan-2-yl)tetradecyl]-2,3,4,5-tetrafluorobenzene
CID 151419404
dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane
CID 90171977

Frequently Asked Questions

What is the IUPAC name of CID 90175207?
The IUPAC name of CID 90175207 (CID 90175207) is not available.
What is the SMILES notation for CID 90175207?
The canonical SMILES for CID 90175207 is CC(C)OC(O[Si]CCCc1cc(F)c(F)c(F)c1F)OC(C)C.
What is the InChIKey of CID 90175207?
The InChIKey is PRTIWYYRZYZQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F4O3Si/c1-9(2)21-16(22-10(3)4)23-24-7-5-6-11-8-12(17)14(19)15(20)13(11)18/h8-10,16H,5-7H2,1-4H3.
What are the key properties of CID 90175207?
CID 90175207 has a molecular weight of 366.43 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90175207 is sourced from PubChem (CID 90175207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).