CID 102071803

CClF2O — CID 102071803

IUPAC—
SMILES[O]C(F)(F)Cl
InChIInChI=1S/CClF2O/c2-1(3,4)5
InChIKeyGFNKLLGULMWYJQ-UHFFFAOYSA-N
MW101.46 g/mol
LogP1.21
Rot. Bonds

About CID 102071803

CID 102071803 (PubChem CID 102071803) has the molecular formula CClF2O and a molecular weight of 101.46 g/mol.

Molecular Properties

Compound NameCID 102071803
PubChem CID102071803
Molecular FormulaCClF2O
Molecular Weight101.46 g/mol
Exact Mass100.96
IUPAC Name—
SMILES[O]C(F)(F)Cl
InChIInChI=1S/CClF2O/c2-1(3,4)5
InChIKeyGFNKLLGULMWYJQ-UHFFFAOYSA-N
XLogP1.21
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.46
LogP ≤ 51.21
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 CID 102071803?
The IUPAC name of CID 102071803 (CID 102071803) is not available.
What is the SMILES notation for CID 102071803?
The canonical SMILES for CID 102071803 is [O]C(F)(F)Cl.
What is the InChIKey of CID 102071803?
The InChIKey is GFNKLLGULMWYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CClF2O/c2-1(3,4)5.
What are the key properties of CID 102071803?
CID 102071803 has a molecular weight of 101.46 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102071803 is sourced from PubChem (CID 102071803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).