2-chloro-2-fluoro-3-methylbutane

C5H10ClF — CID 88897527

IUPAC2-chloro-2-fluoro-3-methylbutane
SMILESCC(C)C(C)(F)Cl
InChIInChI=1S/C5H10ClF/c1-4(2)5(3,6)7/h4H,1-3H3
InChIKeyQWNJBMPILADDKF-UHFFFAOYSA-N
MW124.59 g/mol
LogP2.57
Rot. Bonds1

About 2-chloro-2-fluoro-3-methylbutane

2-chloro-2-fluoro-3-methylbutane (PubChem CID 88897527) has the molecular formula C5H10ClF and a molecular weight of 124.59 g/mol. Its IUPAC name is 2-chloro-2-fluoro-3-methylbutane.

Molecular Properties

Compound Name2-chloro-2-fluoro-3-methylbutane
PubChem CID88897527
Molecular FormulaC5H10ClF
Molecular Weight124.59 g/mol
Exact Mass124.05
IUPAC Name2-chloro-2-fluoro-3-methylbutane
SMILESCC(C)C(C)(F)Cl
InChIInChI=1S/C5H10ClF/c1-4(2)5(3,6)7/h4H,1-3H3
InChIKeyQWNJBMPILADDKF-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.59
LogP ≤ 52.57
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-2-fluoro-3-methylbutane?
The IUPAC name of 2-chloro-2-fluoro-3-methylbutane (CID 88897527) is 2-chloro-2-fluoro-3-methylbutane.
What is the SMILES notation for 2-chloro-2-fluoro-3-methylbutane?
The canonical SMILES for 2-chloro-2-fluoro-3-methylbutane is CC(C)C(C)(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-3-methylbutane?
The InChIKey is QWNJBMPILADDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClF/c1-4(2)5(3,6)7/h4H,1-3H3.
What are the key properties of 2-chloro-2-fluoro-3-methylbutane?
2-chloro-2-fluoro-3-methylbutane has a molecular weight of 124.59 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-3-methylbutane is sourced from PubChem (CID 88897527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).