CID 102020669

C3F7O2 — CID 102020669

IUPAC—
SMILES[O]C(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F7O2/c4-1(5,6)2(7,11)12-3(8,9)10
InChIKeyIBYPIMICDKNVKI-UHFFFAOYSA-N
MW201.02 g/mol
LogP2.14
Rot. Bonds1

About CID 102020669

CID 102020669 (PubChem CID 102020669) has the molecular formula C3F7O2 and a molecular weight of 201.02 g/mol.

Molecular Properties

Compound NameCID 102020669
PubChem CID102020669
Molecular FormulaC3F7O2
Molecular Weight201.02 g/mol
Exact Mass200.98
IUPAC Name—
SMILES[O]C(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F7O2/c4-1(5,6)2(7,11)12-3(8,9)10
InChIKeyIBYPIMICDKNVKI-UHFFFAOYSA-N
XLogP2.14
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.02
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze CID 102020669 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 102020669?
The IUPAC name of CID 102020669 (CID 102020669) is not available.
What is the SMILES notation for CID 102020669?
The canonical SMILES for CID 102020669 is [O]C(F)(OC(F)(F)F)C(F)(F)F.
What is the InChIKey of CID 102020669?
The InChIKey is IBYPIMICDKNVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F7O2/c4-1(5,6)2(7,11)12-3(8,9)10.
What are the key properties of CID 102020669?
CID 102020669 has a molecular weight of 201.02 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102020669 is sourced from PubChem (CID 102020669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).