1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane

C11H24ClF — CID 167651170

IUPAC1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane
SMILESCC(C)(C)C(F)Cl.CCC(C)(C)C
InChIInChI=1S/C6H14.C5H10ClF/c1-5-6(2,3)4;1-5(2,3)4(6)7/h5H2,1-4H3;4H,1-3H3
InChIKeyQPKBUCSKIXWBPU-UHFFFAOYSA-N
MW210.76 g/mol
LogP5.01
Rot. Bonds

About 1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane

1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane (PubChem CID 167651170) has the molecular formula C11H24ClF and a molecular weight of 210.76 g/mol. Its IUPAC name is 1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane.

Molecular Properties

Compound Name1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane
PubChem CID167651170
Molecular FormulaC11H24ClF
Molecular Weight210.76 g/mol
Exact Mass210.16
IUPAC Name1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane
SMILESCC(C)(C)C(F)Cl.CCC(C)(C)C
InChIInChI=1S/C6H14.C5H10ClF/c1-5-6(2,3)4;1-5(2,3)4(6)7/h5H2,1-4H3;4H,1-3H3
InChIKeyQPKBUCSKIXWBPU-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.76
LogP ≤ 55.01
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 1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane?
The IUPAC name of 1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane (CID 167651170) is 1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane.
What is the SMILES notation for 1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane?
The canonical SMILES for 1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane is CC(C)(C)C(F)Cl.CCC(C)(C)C.
What is the InChIKey of 1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane?
The InChIKey is QPKBUCSKIXWBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C5H10ClF/c1-5-6(2,3)4;1-5(2,3)4(6)7/h5H2,1-4H3;4H,1-3H3.
What are the key properties of 1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane?
1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane has a molecular weight of 210.76 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-fluoro-2,2-dimethylpropane;2,2-dimethylbutane is sourced from PubChem (CID 167651170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).