[(1R)-1-(4-chlorophenyl)-2,2,3,3-tetrafluorocyclobutyl] formate

C11H7ClF4O2 — CID 88629041

IUPAC[(1R)-1-(4-chlorophenyl)-2,2,3,3-tetrafluorocyclobutyl] formate
SMILESO=CO[C@@]1(c2ccc(Cl)cc2)CC(F)(F)C1(F)F
InChIInChI=1S/C11H7ClF4O2/c12-8-3-1-7(2-4-8)9(18-6-17)5-10(13,14)11(9,15)16/h1-4,6H,5H2/t9-/m1/s1
InChIKeyRLKQYCBMAQXOEC-SECBINFHSA-N
MW282.62 g/mol
LogP3.38
Rot. Bonds3

About [(1R)-1-(4-chlorophenyl)-2,2,3,3-tetrafluorocyclobutyl] formate

[(1R)-1-(4-chlorophenyl)-2,2,3,3-tetrafluorocyclobutyl] formate (PubChem CID 88629041) has the molecular formula C11H7ClF4O2 and a molecular weight of 282.62 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)-2,2,3,3-tetrafluorocyclobutyl] formate.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)-2,2,3,3-tetrafluorocyclobutyl] formate
PubChem CID88629041
Molecular FormulaC11H7ClF4O2
Molecular Weight282.62 g/mol
Exact Mass282.01
IUPAC Name[(1R)-1-(4-chlorophenyl)-2,2,3,3-tetrafluorocyclobutyl] formate
SMILESO=CO[C@@]1(c2ccc(Cl)cc2)CC(F)(F)C1(F)F
InChIInChI=1S/C11H7ClF4O2/c12-8-3-1-7(2-4-8)9(18-6-17)5-10(13,14)11(9,15)16/h1-4,6H,5H2/t9-/m1/s1
InChIKeyRLKQYCBMAQXOEC-SECBINFHSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.62
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [(1R)-1-(4-chlorophenyl)-2,2,3,3-tetrafluorocyclobutyl] formate 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 [(1R)-1-(4-chlorophenyl)-2,2,3,3-tetrafluorocyclobutyl] formate?
The IUPAC name of [(1R)-1-(4-chlorophenyl)-2,2,3,3-tetrafluorocyclobutyl] formate (CID 88629041) is [(1R)-1-(4-chlorophenyl)-2,2,3,3-tetrafluorocyclobutyl] formate.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)-2,2,3,3-tetrafluorocyclobutyl] formate?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)-2,2,3,3-tetrafluorocyclobutyl] formate is O=CO[C@@]1(c2ccc(Cl)cc2)CC(F)(F)C1(F)F.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)-2,2,3,3-tetrafluorocyclobutyl] formate?
The InChIKey is RLKQYCBMAQXOEC-SECBINFHSA-N. The full InChI is InChI=1S/C11H7ClF4O2/c12-8-3-1-7(2-4-8)9(18-6-17)5-10(13,14)11(9,15)16/h1-4,6H,5H2/t9-/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)-2,2,3,3-tetrafluorocyclobutyl] formate?
[(1R)-1-(4-chlorophenyl)-2,2,3,3-tetrafluorocyclobutyl] formate has a molecular weight of 282.62 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)-2,2,3,3-tetrafluorocyclobutyl] formate is sourced from PubChem (CID 88629041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).