(1R,2S,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane

C7H10ClF — CID 13171171

IUPAC(1R,2S,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane
SMILESF[C@H]1C[C@H]2C[C@@H]1C[C@@H]2Cl
InChIInChI=1S/C7H10ClF/c8-6-2-5-1-4(6)3-7(5)9/h4-7H,1-3H2/t4-,5-,6+,7+/m1/s1
InChIKeyOFKGSWRJJZKZGG-JWXFUTCRSA-N
MW148.61 g/mol
LogP2.36
Rot. Bonds

About (1R,2S,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane

(1R,2S,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane (PubChem CID 13171171) has the molecular formula C7H10ClF and a molecular weight of 148.61 g/mol. Its IUPAC name is (1R,2S,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2S,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane
PubChem CID13171171
Molecular FormulaC7H10ClF
Molecular Weight148.61 g/mol
Exact Mass148.05
IUPAC Name(1R,2S,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane
SMILESF[C@H]1C[C@H]2C[C@@H]1C[C@@H]2Cl
InChIInChI=1S/C7H10ClF/c8-6-2-5-1-4(6)3-7(5)9/h4-7H,1-3H2/t4-,5-,6+,7+/m1/s1
InChIKeyOFKGSWRJJZKZGG-JWXFUTCRSA-N
XLogP2.36
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 ≤ 52.36
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 (1R,2S,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane?
The IUPAC name of (1R,2S,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane (CID 13171171) is (1R,2S,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2S,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2S,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane is F[C@H]1C[C@H]2C[C@@H]1C[C@@H]2Cl.
What is the InChIKey of (1R,2S,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane?
The InChIKey is OFKGSWRJJZKZGG-JWXFUTCRSA-N. The full InChI is InChI=1S/C7H10ClF/c8-6-2-5-1-4(6)3-7(5)9/h4-7H,1-3H2/t4-,5-,6+,7+/m1/s1.
What are the key properties of (1R,2S,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane?
(1R,2S,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane has a molecular weight of 148.61 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane is sourced from PubChem (CID 13171171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).