(1S,2R,3S,4R,5R,6S)-3-chloro-5-fluorotricyclo[2.2.1.02,6]heptane

C7H8ClF — CID 134933850

IUPAC(1S,2R,3S,4R,5R,6S)-3-chloro-5-fluorotricyclo[2.2.1.02,6]heptane
SMILESF[C@H]1[C@H]2C[C@@H]3[C@@H]([C@@H]2Cl)[C@@H]13
InChIInChI=1S/C7H8ClF/c8-6-3-1-2-4(6)5(2)7(3)9/h2-7H,1H2/t2-,3+,4-,5+,6-,7+/m1/s1
InChIKeyPWAGZODRQKFSQJ-BIWMIDHDSA-N
MW146.59 g/mol
LogP1.83
Rot. Bonds

About (1S,2R,3S,4R,5R,6S)-3-chloro-5-fluorotricyclo[2.2.1.02,6]heptane

(1S,2R,3S,4R,5R,6S)-3-chloro-5-fluorotricyclo[2.2.1.02,6]heptane (PubChem CID 134933850) has the molecular formula C7H8ClF and a molecular weight of 146.59 g/mol. Its IUPAC name is (1S,2R,3S,4R,5R,6S)-3-chloro-5-fluorotricyclo[2.2.1.02,6]heptane.

Molecular Properties

Compound Name(1S,2R,3S,4R,5R,6S)-3-chloro-5-fluorotricyclo[2.2.1.02,6]heptane
PubChem CID134933850
Molecular FormulaC7H8ClF
Molecular Weight146.59 g/mol
Exact Mass146.03
IUPAC Name(1S,2R,3S,4R,5R,6S)-3-chloro-5-fluorotricyclo[2.2.1.02,6]heptane
SMILESF[C@H]1[C@H]2C[C@@H]3[C@@H]([C@@H]2Cl)[C@@H]13
InChIInChI=1S/C7H8ClF/c8-6-3-1-2-4(6)5(2)7(3)9/h2-7H,1H2/t2-,3+,4-,5+,6-,7+/m1/s1
InChIKeyPWAGZODRQKFSQJ-BIWMIDHDSA-N
XLogP1.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.59
LogP ≤ 51.83
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 (1S,2R,3S,4R,5R,6S)-3-chloro-5-fluorotricyclo[2.2.1.02,6]heptane?
The IUPAC name of (1S,2R,3S,4R,5R,6S)-3-chloro-5-fluorotricyclo[2.2.1.02,6]heptane (CID 134933850) is (1S,2R,3S,4R,5R,6S)-3-chloro-5-fluorotricyclo[2.2.1.02,6]heptane.
What is the SMILES notation for (1S,2R,3S,4R,5R,6S)-3-chloro-5-fluorotricyclo[2.2.1.02,6]heptane?
The canonical SMILES for (1S,2R,3S,4R,5R,6S)-3-chloro-5-fluorotricyclo[2.2.1.02,6]heptane is F[C@H]1[C@H]2C[C@@H]3[C@@H]([C@@H]2Cl)[C@@H]13.
What is the InChIKey of (1S,2R,3S,4R,5R,6S)-3-chloro-5-fluorotricyclo[2.2.1.02,6]heptane?
The InChIKey is PWAGZODRQKFSQJ-BIWMIDHDSA-N. The full InChI is InChI=1S/C7H8ClF/c8-6-3-1-2-4(6)5(2)7(3)9/h2-7H,1H2/t2-,3+,4-,5+,6-,7+/m1/s1.
What are the key properties of (1S,2R,3S,4R,5R,6S)-3-chloro-5-fluorotricyclo[2.2.1.02,6]heptane?
(1S,2R,3S,4R,5R,6S)-3-chloro-5-fluorotricyclo[2.2.1.02,6]heptane has a molecular weight of 146.59 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4R,5R,6S)-3-chloro-5-fluorotricyclo[2.2.1.02,6]heptane is sourced from PubChem (CID 134933850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).