(3-chloro-5-fluorophenoxy)-tri(propan-2-yl)silane

C15H24ClFOSi — CID 58200542

IUPAC(3-chloro-5-fluorophenoxy)-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cc(F)cc(Cl)c1)(C(C)C)C(C)C
InChIInChI=1S/C15H24ClFOSi/c1-10(2)19(11(3)4,12(5)6)18-15-8-13(16)7-14(17)9-15/h7-12H,1-6H3
InChIKeyGVOQAKJGFTYBKA-UHFFFAOYSA-N
MW302.89 g/mol
LogP6.03
Rot. Bonds5

About (3-chloro-5-fluorophenoxy)-tri(propan-2-yl)silane

(3-chloro-5-fluorophenoxy)-tri(propan-2-yl)silane (PubChem CID 58200542) has the molecular formula C15H24ClFOSi and a molecular weight of 302.89 g/mol. Its IUPAC name is (3-chloro-5-fluorophenoxy)-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(3-chloro-5-fluorophenoxy)-tri(propan-2-yl)silane
PubChem CID58200542
Molecular FormulaC15H24ClFOSi
Molecular Weight302.89 g/mol
Exact Mass302.13
IUPAC Name(3-chloro-5-fluorophenoxy)-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cc(F)cc(Cl)c1)(C(C)C)C(C)C
InChIInChI=1S/C15H24ClFOSi/c1-10(2)19(11(3)4,12(5)6)18-15-8-13(16)7-14(17)9-15/h7-12H,1-6H3
InChIKeyGVOQAKJGFTYBKA-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.89
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluorophenoxy)-tri(propan-2-yl)silane?
The IUPAC name of (3-chloro-5-fluorophenoxy)-tri(propan-2-yl)silane (CID 58200542) is (3-chloro-5-fluorophenoxy)-tri(propan-2-yl)silane.
What is the SMILES notation for (3-chloro-5-fluorophenoxy)-tri(propan-2-yl)silane?
The canonical SMILES for (3-chloro-5-fluorophenoxy)-tri(propan-2-yl)silane is CC(C)[Si](Oc1cc(F)cc(Cl)c1)(C(C)C)C(C)C.
What is the InChIKey of (3-chloro-5-fluorophenoxy)-tri(propan-2-yl)silane?
The InChIKey is GVOQAKJGFTYBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClFOSi/c1-10(2)19(11(3)4,12(5)6)18-15-8-13(16)7-14(17)9-15/h7-12H,1-6H3.
What are the key properties of (3-chloro-5-fluorophenoxy)-tri(propan-2-yl)silane?
(3-chloro-5-fluorophenoxy)-tri(propan-2-yl)silane has a molecular weight of 302.89 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluorophenoxy)-tri(propan-2-yl)silane is sourced from PubChem (CID 58200542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).