(1R,3R)-3-chlorotricyclo[2.2.1.02,6]heptane

C7H9Cl — CID 102212512

IUPAC(1R,3R)-3-chlorotricyclo[2.2.1.02,6]heptane
SMILESCl[C@@H]1C2CC3C1[C@@H]3C2
InChIInChI=1S/C7H9Cl/c8-7-3-1-4-5(2-3)6(4)7/h3-7H,1-2H2/t3?,4-,5?,6?,7-/m1/s1
InChIKeyBUZGNAVALTYIOX-XFQYLJLSSA-N
MW128.60 g/mol
LogP1.88
Rot. Bonds

About (1R,3R)-3-chlorotricyclo[2.2.1.02,6]heptane

(1R,3R)-3-chlorotricyclo[2.2.1.02,6]heptane (PubChem CID 102212512) has the molecular formula C7H9Cl and a molecular weight of 128.60 g/mol. Its IUPAC name is (1R,3R)-3-chlorotricyclo[2.2.1.02,6]heptane.

Molecular Properties

Compound Name(1R,3R)-3-chlorotricyclo[2.2.1.02,6]heptane
PubChem CID102212512
Molecular FormulaC7H9Cl
Molecular Weight128.60 g/mol
Exact Mass128.04
IUPAC Name(1R,3R)-3-chlorotricyclo[2.2.1.02,6]heptane
SMILESCl[C@@H]1C2CC3C1[C@@H]3C2
InChIInChI=1S/C7H9Cl/c8-7-3-1-4-5(2-3)6(4)7/h3-7H,1-2H2/t3?,4-,5?,6?,7-/m1/s1
InChIKeyBUZGNAVALTYIOX-XFQYLJLSSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.60
LogP ≤ 51.88
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,3R)-3-chlorotricyclo[2.2.1.02,6]heptane?
The IUPAC name of (1R,3R)-3-chlorotricyclo[2.2.1.02,6]heptane (CID 102212512) is (1R,3R)-3-chlorotricyclo[2.2.1.02,6]heptane.
What is the SMILES notation for (1R,3R)-3-chlorotricyclo[2.2.1.02,6]heptane?
The canonical SMILES for (1R,3R)-3-chlorotricyclo[2.2.1.02,6]heptane is Cl[C@@H]1C2CC3C1[C@@H]3C2.
What is the InChIKey of (1R,3R)-3-chlorotricyclo[2.2.1.02,6]heptane?
The InChIKey is BUZGNAVALTYIOX-XFQYLJLSSA-N. The full InChI is InChI=1S/C7H9Cl/c8-7-3-1-4-5(2-3)6(4)7/h3-7H,1-2H2/t3?,4-,5?,6?,7-/m1/s1.
What are the key properties of (1R,3R)-3-chlorotricyclo[2.2.1.02,6]heptane?
(1R,3R)-3-chlorotricyclo[2.2.1.02,6]heptane has a molecular weight of 128.60 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-chlorotricyclo[2.2.1.02,6]heptane is sourced from PubChem (CID 102212512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).