4-chlorospiro[fluorene-9,11'-tricyclo[4.3.1.11,4]undecane]

C23H23Cl — CID 166807938

IUPAC4-chlorospiro[fluorene-9,11'-tricyclo[4.3.1.11,4]undecane]
SMILESClc1cccc2c1-c1ccccc1C21C2CCC13CCCC(C2)C3
InChIInChI=1S/C23H23Cl/c24-20-9-3-8-19-21(20)17-6-1-2-7-18(17)23(19)16-10-12-22(23)11-4-5-15(13-16)14-22/h1-3,6-9,15-16H,4-5,10-14H2
InChIKeyCTWPTPVUIFGLDD-UHFFFAOYSA-N
MW334.89 g/mol
LogP6.60
Rot. Bonds

About 4-chlorospiro[fluorene-9,11'-tricyclo[4.3.1.11,4]undecane]

4-chlorospiro[fluorene-9,11'-tricyclo[4.3.1.11,4]undecane] (PubChem CID 166807938) has the molecular formula C23H23Cl and a molecular weight of 334.89 g/mol. Its IUPAC name is 4-chlorospiro[fluorene-9,11'-tricyclo[4.3.1.11,4]undecane].

Molecular Properties

Compound Name4-chlorospiro[fluorene-9,11'-tricyclo[4.3.1.11,4]undecane]
PubChem CID166807938
Molecular FormulaC23H23Cl
Molecular Weight334.89 g/mol
Exact Mass334.15
IUPAC Name4-chlorospiro[fluorene-9,11'-tricyclo[4.3.1.11,4]undecane]
SMILESClc1cccc2c1-c1ccccc1C21C2CCC13CCCC(C2)C3
InChIInChI=1S/C23H23Cl/c24-20-9-3-8-19-21(20)17-6-1-2-7-18(17)23(19)16-10-12-22(23)11-4-5-15(13-16)14-22/h1-3,6-9,15-16H,4-5,10-14H2
InChIKeyCTWPTPVUIFGLDD-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.89
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-chlorospiro[fluorene-9,11'-tricyclo[4.3.1.11,4]undecane]?
The IUPAC name of 4-chlorospiro[fluorene-9,11'-tricyclo[4.3.1.11,4]undecane] (CID 166807938) is 4-chlorospiro[fluorene-9,11'-tricyclo[4.3.1.11,4]undecane].
What is the SMILES notation for 4-chlorospiro[fluorene-9,11'-tricyclo[4.3.1.11,4]undecane]?
The canonical SMILES for 4-chlorospiro[fluorene-9,11'-tricyclo[4.3.1.11,4]undecane] is Clc1cccc2c1-c1ccccc1C21C2CCC13CCCC(C2)C3.
What is the InChIKey of 4-chlorospiro[fluorene-9,11'-tricyclo[4.3.1.11,4]undecane]?
The InChIKey is CTWPTPVUIFGLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl/c24-20-9-3-8-19-21(20)17-6-1-2-7-18(17)23(19)16-10-12-22(23)11-4-5-15(13-16)14-22/h1-3,6-9,15-16H,4-5,10-14H2.
What are the key properties of 4-chlorospiro[fluorene-9,11'-tricyclo[4.3.1.11,4]undecane]?
4-chlorospiro[fluorene-9,11'-tricyclo[4.3.1.11,4]undecane] has a molecular weight of 334.89 g/mol, XLogP of 6.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorospiro[fluorene-9,11'-tricyclo[4.3.1.11,4]undecane] is sourced from PubChem (CID 166807938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).