2-chloro-2,2-difluoroethyl

C2H2ClF2 — CID 14849498

IUPAC—
SMILES[CH2]C(F)(F)Cl
InChIInChI=1S/C2H2ClF2/c1-2(3,4)5/h1H2
InChIKeyCPRCXVAIPPLRJV-UHFFFAOYSA-N
MW99.49 g/mol
LogP1.65
Rot. Bonds

About 2-chloro-2,2-difluoroethyl

2-chloro-2,2-difluoroethyl (PubChem CID 14849498) has the molecular formula C2H2ClF2 and a molecular weight of 99.49 g/mol.

Molecular Properties

Compound Name2-chloro-2,2-difluoroethyl
PubChem CID14849498
Molecular FormulaC2H2ClF2
Molecular Weight99.49 g/mol
Exact Mass98.98
IUPAC Name—
SMILES[CH2]C(F)(F)Cl
InChIInChI=1S/C2H2ClF2/c1-2(3,4)5/h1H2
InChIKeyCPRCXVAIPPLRJV-UHFFFAOYSA-N
XLogP1.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.49
LogP ≤ 51.65
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-2,2-difluoroethyl?
The IUPAC name of 2-chloro-2,2-difluoroethyl (CID 14849498) is not available.
What is the SMILES notation for 2-chloro-2,2-difluoroethyl?
The canonical SMILES for 2-chloro-2,2-difluoroethyl is [CH2]C(F)(F)Cl.
What is the InChIKey of 2-chloro-2,2-difluoroethyl?
The InChIKey is CPRCXVAIPPLRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2ClF2/c1-2(3,4)5/h1H2.
What are the key properties of 2-chloro-2,2-difluoroethyl?
2-chloro-2,2-difluoroethyl has a molecular weight of 99.49 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoroethyl is sourced from PubChem (CID 14849498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).