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

C7H10ClF — CID 13171172

IUPAC(1R,2R,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-GBNDHIKLSA-N
MW148.61 g/mol
LogP2.36
Rot. Bonds

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

(1R,2R,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane (PubChem CID 13171172) has the molecular formula C7H10ClF and a molecular weight of 148.61 g/mol. Its IUPAC name is (1R,2R,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2R,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane
PubChem CID13171172
Molecular FormulaC7H10ClF
Molecular Weight148.61 g/mol
Exact Mass148.05
IUPAC Name(1R,2R,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-GBNDHIKLSA-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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Related Compounds

CID 34539
CID 34539
CID 3613638
CID 3613638
CID 13171182
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CID 13171189
CID 13171189
CID 131169771
CID 131169771
CID 15567366
CID 15567366
CID 23620196
CID 23620196
CID 12220913
CID 12220913
CID 13171180
CID 13171180
CID 134933850
CID 134933850
CID 134938039
CID 134938039
CID 134996538
CID 134996538

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane?
The IUPAC name of (1R,2R,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane (CID 13171172) is (1R,2R,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2R,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2R,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,2R,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane?
The InChIKey is OFKGSWRJJZKZGG-GBNDHIKLSA-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,2R,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane?
(1R,2R,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,2R,4R,5S)-2-chloro-5-fluorobicyclo[2.2.1]heptane is sourced from PubChem (CID 13171172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).