5-fluoro-4,7-dimethylhexacyclo[7.6.0.02,8.03,6.010,15.011,14]pentadecane

C17H23F — CID 167105854

IUPAC5-fluoro-4,7-dimethylhexacyclo[7.6.0.02,8.03,6.010,15.011,14]pentadecane
SMILESCC1C(F)C2C(C)C3C(C12)C1C2C4CCC4C2C31
InChIInChI=1S/C17H23F/c1-5-9-14(10-6(2)17(18)11(5)10)16-13-8-4-3-7(8)12(13)15(9)16/h5-17H,3-4H2,1-2H3
InChIKeyZKAZWAVFLBCBKD-UHFFFAOYSA-N
MW246.37 g/mol
LogP3.62
Rot. Bonds

About 5-fluoro-4,7-dimethylhexacyclo[7.6.0.02,8.03,6.010,15.011,14]pentadecane

5-fluoro-4,7-dimethylhexacyclo[7.6.0.02,8.03,6.010,15.011,14]pentadecane (PubChem CID 167105854) has the molecular formula C17H23F and a molecular weight of 246.37 g/mol. Its IUPAC name is 5-fluoro-4,7-dimethylhexacyclo[7.6.0.02,8.03,6.010,15.011,14]pentadecane.

Molecular Properties

Compound Name5-fluoro-4,7-dimethylhexacyclo[7.6.0.02,8.03,6.010,15.011,14]pentadecane
PubChem CID167105854
Molecular FormulaC17H23F
Molecular Weight246.37 g/mol
Exact Mass246.18
IUPAC Name5-fluoro-4,7-dimethylhexacyclo[7.6.0.02,8.03,6.010,15.011,14]pentadecane
SMILESCC1C(F)C2C(C)C3C(C12)C1C2C4CCC4C2C31
InChIInChI=1S/C17H23F/c1-5-9-14(10-6(2)17(18)11(5)10)16-13-8-4-3-7(8)12(13)15(9)16/h5-17H,3-4H2,1-2H3
InChIKeyZKAZWAVFLBCBKD-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4,7-dimethylhexacyclo[7.6.0.02,8.03,6.010,15.011,14]pentadecane?
The IUPAC name of 5-fluoro-4,7-dimethylhexacyclo[7.6.0.02,8.03,6.010,15.011,14]pentadecane (CID 167105854) is 5-fluoro-4,7-dimethylhexacyclo[7.6.0.02,8.03,6.010,15.011,14]pentadecane.
What is the SMILES notation for 5-fluoro-4,7-dimethylhexacyclo[7.6.0.02,8.03,6.010,15.011,14]pentadecane?
The canonical SMILES for 5-fluoro-4,7-dimethylhexacyclo[7.6.0.02,8.03,6.010,15.011,14]pentadecane is CC1C(F)C2C(C)C3C(C12)C1C2C4CCC4C2C31.
What is the InChIKey of 5-fluoro-4,7-dimethylhexacyclo[7.6.0.02,8.03,6.010,15.011,14]pentadecane?
The InChIKey is ZKAZWAVFLBCBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F/c1-5-9-14(10-6(2)17(18)11(5)10)16-13-8-4-3-7(8)12(13)15(9)16/h5-17H,3-4H2,1-2H3.
What are the key properties of 5-fluoro-4,7-dimethylhexacyclo[7.6.0.02,8.03,6.010,15.011,14]pentadecane?
5-fluoro-4,7-dimethylhexacyclo[7.6.0.02,8.03,6.010,15.011,14]pentadecane has a molecular weight of 246.37 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4,7-dimethylhexacyclo[7.6.0.02,8.03,6.010,15.011,14]pentadecane is sourced from PubChem (CID 167105854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).