1,1-dichloro-1-fluoro-2-methylhexane

C7H13Cl2F — CID 173319055

IUPAC1,1-dichloro-1-fluoro-2-methylhexane
SMILESCCCCC(C)C(F)(Cl)Cl
InChIInChI=1S/C7H13Cl2F/c1-3-4-5-6(2)7(8,9)10/h6H,3-5H2,1-2H3
InChIKeyRBDIZHMOAHPBAZ-UHFFFAOYSA-N
MW187.08 g/mol
LogP3.91
Rot. Bonds4

About 1,1-dichloro-1-fluoro-2-methylhexane

1,1-dichloro-1-fluoro-2-methylhexane (PubChem CID 173319055) has the molecular formula C7H13Cl2F and a molecular weight of 187.08 g/mol. Its IUPAC name is 1,1-dichloro-1-fluoro-2-methylhexane.

Molecular Properties

Compound Name1,1-dichloro-1-fluoro-2-methylhexane
PubChem CID173319055
Molecular FormulaC7H13Cl2F
Molecular Weight187.08 g/mol
Exact Mass186.04
IUPAC Name1,1-dichloro-1-fluoro-2-methylhexane
SMILESCCCCC(C)C(F)(Cl)Cl
InChIInChI=1S/C7H13Cl2F/c1-3-4-5-6(2)7(8,9)10/h6H,3-5H2,1-2H3
InChIKeyRBDIZHMOAHPBAZ-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.08
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methane;1,1,1-trifluoro-2-methylhexane
CID 161476124
2-methylhexane;1,1,1-trifluoroethane
CID 157031744
4-chloro-4,5-dimethyltridecane
CID 152641357
2-chloro-2,3-dimethyltridecane
CID 87222996
2-chloro-2,3-dimethylnonane
CID 87897655
12-chloro-13-methyl-12-undecyltetracosane
CID 88839941
13-chloro-13-dodecyl-14-methylhexacosane
CID 88839869
2,3-dimethyloctan-2-ylazanium tetrafluoroborate
CID 87195438
azane;7-chloro-7-hexyl-8-methyltetradecane
CID 88840314
3-ethyl-2,3,4-trimethyloctane
CID 57491124
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane
CID 177342292
tributyl(methyl)phosphanium
CID 2760115

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-1-fluoro-2-methylhexane?
The IUPAC name of 1,1-dichloro-1-fluoro-2-methylhexane (CID 173319055) is 1,1-dichloro-1-fluoro-2-methylhexane.
What is the SMILES notation for 1,1-dichloro-1-fluoro-2-methylhexane?
The canonical SMILES for 1,1-dichloro-1-fluoro-2-methylhexane is CCCCC(C)C(F)(Cl)Cl.
What is the InChIKey of 1,1-dichloro-1-fluoro-2-methylhexane?
The InChIKey is RBDIZHMOAHPBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl2F/c1-3-4-5-6(2)7(8,9)10/h6H,3-5H2,1-2H3.
What are the key properties of 1,1-dichloro-1-fluoro-2-methylhexane?
1,1-dichloro-1-fluoro-2-methylhexane has a molecular weight of 187.08 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1-fluoro-2-methylhexane is sourced from PubChem (CID 173319055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).