2-(chloromethyl)-6-(trifluoromethyl)spiro[2.5]octane

C10H14ClF3 — CID 81358747

IUPAC2-(chloromethyl)-6-(trifluoromethyl)spiro[2.5]octane
SMILESFC(F)(F)C1CCC2(CC1)CC2CCl
InChIInChI=1S/C10H14ClF3/c11-6-8-5-9(8)3-1-7(2-4-9)10(12,13)14/h7-8H,1-6H2
InChIKeyKVJPVUKDQWBFQU-UHFFFAOYSA-N
MW226.67 g/mol
LogP3.98
Rot. Bonds1

About 2-(chloromethyl)-6-(trifluoromethyl)spiro[2.5]octane

2-(chloromethyl)-6-(trifluoromethyl)spiro[2.5]octane (PubChem CID 81358747) has the molecular formula C10H14ClF3 and a molecular weight of 226.67 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(trifluoromethyl)spiro[2.5]octane.

Molecular Properties

Compound Name2-(chloromethyl)-6-(trifluoromethyl)spiro[2.5]octane
PubChem CID81358747
Molecular FormulaC10H14ClF3
Molecular Weight226.67 g/mol
Exact Mass226.07
IUPAC Name2-(chloromethyl)-6-(trifluoromethyl)spiro[2.5]octane
SMILESFC(F)(F)C1CCC2(CC1)CC2CCl
InChIInChI=1S/C10H14ClF3/c11-6-8-5-9(8)3-1-7(2-4-9)10(12,13)14/h7-8H,1-6H2
InChIKeyKVJPVUKDQWBFQU-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(trifluoromethyl)spiro[2.5]octane?
The IUPAC name of 2-(chloromethyl)-6-(trifluoromethyl)spiro[2.5]octane (CID 81358747) is 2-(chloromethyl)-6-(trifluoromethyl)spiro[2.5]octane.
What is the SMILES notation for 2-(chloromethyl)-6-(trifluoromethyl)spiro[2.5]octane?
The canonical SMILES for 2-(chloromethyl)-6-(trifluoromethyl)spiro[2.5]octane is FC(F)(F)C1CCC2(CC1)CC2CCl.
What is the InChIKey of 2-(chloromethyl)-6-(trifluoromethyl)spiro[2.5]octane?
The InChIKey is KVJPVUKDQWBFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF3/c11-6-8-5-9(8)3-1-7(2-4-9)10(12,13)14/h7-8H,1-6H2.
What are the key properties of 2-(chloromethyl)-6-(trifluoromethyl)spiro[2.5]octane?
2-(chloromethyl)-6-(trifluoromethyl)spiro[2.5]octane has a molecular weight of 226.67 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(trifluoromethyl)spiro[2.5]octane is sourced from PubChem (CID 81358747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).