2-chloro-2-fluorobicyclo[2.2.1]heptane

C7H10ClF — CID 134938039

IUPAC2-chloro-2-fluorobicyclo[2.2.1]heptane
SMILESFC1(Cl)CC2CCC1C2
InChIInChI=1S/C7H10ClF/c8-7(9)4-5-1-2-6(7)3-5/h5-6H,1-4H2
InChIKeyQFTJDIOFYISWOK-UHFFFAOYSA-N
MW148.61 g/mol
LogP2.71
Rot. Bonds

About 2-chloro-2-fluorobicyclo[2.2.1]heptane

2-chloro-2-fluorobicyclo[2.2.1]heptane (PubChem CID 134938039) has the molecular formula C7H10ClF and a molecular weight of 148.61 g/mol. Its IUPAC name is 2-chloro-2-fluorobicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-chloro-2-fluorobicyclo[2.2.1]heptane
PubChem CID134938039
Molecular FormulaC7H10ClF
Molecular Weight148.61 g/mol
Exact Mass148.05
IUPAC Name2-chloro-2-fluorobicyclo[2.2.1]heptane
SMILESFC1(Cl)CC2CCC1C2
InChIInChI=1S/C7H10ClF/c8-7(9)4-5-1-2-6(7)3-5/h5-6H,1-4H2
InChIKeyQFTJDIOFYISWOK-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.61
LogP ≤ 52.71
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-fluorobicyclo[2.2.1]heptane?
The IUPAC name of 2-chloro-2-fluorobicyclo[2.2.1]heptane (CID 134938039) is 2-chloro-2-fluorobicyclo[2.2.1]heptane.
What is the SMILES notation for 2-chloro-2-fluorobicyclo[2.2.1]heptane?
The canonical SMILES for 2-chloro-2-fluorobicyclo[2.2.1]heptane is FC1(Cl)CC2CCC1C2.
What is the InChIKey of 2-chloro-2-fluorobicyclo[2.2.1]heptane?
The InChIKey is QFTJDIOFYISWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF/c8-7(9)4-5-1-2-6(7)3-5/h5-6H,1-4H2.
What are the key properties of 2-chloro-2-fluorobicyclo[2.2.1]heptane?
2-chloro-2-fluorobicyclo[2.2.1]heptane has a molecular weight of 148.61 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluorobicyclo[2.2.1]heptane is sourced from PubChem (CID 134938039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).