CID 101008098

C12H21F2Si — CID 101008098

IUPAC—
SMILESCC(C)[Si](C#C[C](F)F)(C(C)C)C(C)C
InChIInChI=1S/C12H21F2Si/c1-9(2)15(10(3)4,11(5)6)8-7-12(13)14/h9-11H,1-6H3
InChIKeyNJZJIWWVOUMOCI-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.64
Rot. Bonds3

About CID 101008098

CID 101008098 (PubChem CID 101008098) has the molecular formula C12H21F2Si and a molecular weight of 231.38 g/mol.

Molecular Properties

Compound NameCID 101008098
PubChem CID101008098
Molecular FormulaC12H21F2Si
Molecular Weight231.38 g/mol
Exact Mass231.14
IUPAC Name—
SMILESCC(C)[Si](C#C[C](F)F)(C(C)C)C(C)C
InChIInChI=1S/C12H21F2Si/c1-9(2)15(10(3)4,11(5)6)8-7-12(13)14/h9-11H,1-6H3
InChIKeyNJZJIWWVOUMOCI-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101008098?
The IUPAC name of CID 101008098 (CID 101008098) is not available.
What is the SMILES notation for CID 101008098?
The canonical SMILES for CID 101008098 is CC(C)[Si](C#C[C](F)F)(C(C)C)C(C)C.
What is the InChIKey of CID 101008098?
The InChIKey is NJZJIWWVOUMOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2Si/c1-9(2)15(10(3)4,11(5)6)8-7-12(13)14/h9-11H,1-6H3.
What are the key properties of CID 101008098?
CID 101008098 has a molecular weight of 231.38 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101008098 is sourced from PubChem (CID 101008098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).