1-fluorocubane

C8H7F — CID 10261101

IUPAC1-fluorocubane
SMILESFC12C3C4C5C3C1C5C42
InChIInChI=1S/C8H7F/c9-8-5-2-1-3(5)7(8)4(1)6(2)8/h1-7H
InChIKeyDIVWWCLPOLQNDT-UHFFFAOYSA-N
MW122.14 g/mol
LogP1.08
Rot. Bonds

About 1-fluorocubane

1-fluorocubane (PubChem CID 10261101) has the molecular formula C8H7F and a molecular weight of 122.14 g/mol. Its IUPAC name is 1-fluorocubane.

Molecular Properties

Compound Name1-fluorocubane
PubChem CID10261101
Molecular FormulaC8H7F
Molecular Weight122.14 g/mol
Exact Mass122.05
IUPAC Name1-fluorocubane
SMILESFC12C3C4C5C3C1C5C42
InChIInChI=1S/C8H7F/c9-8-5-2-1-3(5)7(8)4(1)6(2)8/h1-7H
InChIKeyDIVWWCLPOLQNDT-UHFFFAOYSA-N
XLogP1.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluorocubane?
The IUPAC name of 1-fluorocubane (CID 10261101) is 1-fluorocubane.
What is the SMILES notation for 1-fluorocubane?
The canonical SMILES for 1-fluorocubane is FC12C3C4C5C3C1C5C42.
What is the InChIKey of 1-fluorocubane?
The InChIKey is DIVWWCLPOLQNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F/c9-8-5-2-1-3(5)7(8)4(1)6(2)8/h1-7H.
What are the key properties of 1-fluorocubane?
1-fluorocubane has a molecular weight of 122.14 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorocubane is sourced from PubChem (CID 10261101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).