2-chloro-3-fluoro-5,6-dimethyloctane

C10H20ClF — CID 123624502

IUPAC2-chloro-3-fluoro-5,6-dimethyloctane
SMILESCCC(C)C(C)CC(F)C(C)Cl
InChIInChI=1S/C10H20ClF/c1-5-7(2)8(3)6-10(12)9(4)11/h7-10H,5-6H2,1-4H3
InChIKeyFWXQDYPPBHLFJG-UHFFFAOYSA-N
MW194.72 g/mol
LogP4.02
Rot. Bonds5

About 2-chloro-3-fluoro-5,6-dimethyloctane

2-chloro-3-fluoro-5,6-dimethyloctane (PubChem CID 123624502) has the molecular formula C10H20ClF and a molecular weight of 194.72 g/mol. Its IUPAC name is 2-chloro-3-fluoro-5,6-dimethyloctane.

Molecular Properties

Compound Name2-chloro-3-fluoro-5,6-dimethyloctane
PubChem CID123624502
Molecular FormulaC10H20ClF
Molecular Weight194.72 g/mol
Exact Mass194.12
IUPAC Name2-chloro-3-fluoro-5,6-dimethyloctane
SMILESCCC(C)C(C)CC(F)C(C)Cl
InChIInChI=1S/C10H20ClF/c1-5-7(2)8(3)6-10(12)9(4)11/h7-10H,5-6H2,1-4H3
InChIKeyFWXQDYPPBHLFJG-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.72
LogP ≤ 54.02
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-chloro-3-fluoro-5,6-dimethyloctane?
The IUPAC name of 2-chloro-3-fluoro-5,6-dimethyloctane (CID 123624502) is 2-chloro-3-fluoro-5,6-dimethyloctane.
What is the SMILES notation for 2-chloro-3-fluoro-5,6-dimethyloctane?
The canonical SMILES for 2-chloro-3-fluoro-5,6-dimethyloctane is CCC(C)C(C)CC(F)C(C)Cl.
What is the InChIKey of 2-chloro-3-fluoro-5,6-dimethyloctane?
The InChIKey is FWXQDYPPBHLFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClF/c1-5-7(2)8(3)6-10(12)9(4)11/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-chloro-3-fluoro-5,6-dimethyloctane?
2-chloro-3-fluoro-5,6-dimethyloctane has a molecular weight of 194.72 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-5,6-dimethyloctane is sourced from PubChem (CID 123624502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).