1,2-dichloro-3-fluoro-2-methylpropane

C4H7Cl2F — CID 55298520

IUPAC1,2-dichloro-3-fluoro-2-methylpropane
SMILESCC(Cl)(CF)CCl
InChIInChI=1S/C4H7Cl2F/c1-4(6,2-5)3-7/h2-3H2,1H3
InChIKeyGMFIEWNMNFWMOL-UHFFFAOYSA-N
MW145.00 g/mol
LogP2.19
Rot. Bonds2

About 1,2-dichloro-3-fluoro-2-methylpropane

1,2-dichloro-3-fluoro-2-methylpropane (PubChem CID 55298520) has the molecular formula C4H7Cl2F and a molecular weight of 145.00 g/mol. Its IUPAC name is 1,2-dichloro-3-fluoro-2-methylpropane.

Molecular Properties

Compound Name1,2-dichloro-3-fluoro-2-methylpropane
PubChem CID55298520
Molecular FormulaC4H7Cl2F
Molecular Weight145.00 g/mol
Exact Mass143.99
IUPAC Name1,2-dichloro-3-fluoro-2-methylpropane
SMILESCC(Cl)(CF)CCl
InChIInChI=1S/C4H7Cl2F/c1-4(6,2-5)3-7/h2-3H2,1H3
InChIKeyGMFIEWNMNFWMOL-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.00
LogP ≤ 52.19
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 1,2-dichloro-3-fluoro-2-methylpropane?
The IUPAC name of 1,2-dichloro-3-fluoro-2-methylpropane (CID 55298520) is 1,2-dichloro-3-fluoro-2-methylpropane.
What is the SMILES notation for 1,2-dichloro-3-fluoro-2-methylpropane?
The canonical SMILES for 1,2-dichloro-3-fluoro-2-methylpropane is CC(Cl)(CF)CCl.
What is the InChIKey of 1,2-dichloro-3-fluoro-2-methylpropane?
The InChIKey is GMFIEWNMNFWMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2F/c1-4(6,2-5)3-7/h2-3H2,1H3.
What are the key properties of 1,2-dichloro-3-fluoro-2-methylpropane?
1,2-dichloro-3-fluoro-2-methylpropane has a molecular weight of 145.00 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-fluoro-2-methylpropane is sourced from PubChem (CID 55298520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).