1,4-difluorocubane

C8H6F2 — CID 11819150

IUPAC1,4-difluorocubane
SMILESFC12C3C4C1C1C2C3C41F
InChIInChI=1S/C8H6F2/c9-7-1-2-4(7)6-5(7)3(1)8(2,6)10/h1-6H
InChIKeyGTJNRPMWTYLDCY-UHFFFAOYSA-N
MW140.13 g/mol
LogP1.17
Rot. Bonds

About 1,4-difluorocubane

1,4-difluorocubane (PubChem CID 11819150) has the molecular formula C8H6F2 and a molecular weight of 140.13 g/mol. Its IUPAC name is 1,4-difluorocubane.

Molecular Properties

Compound Name1,4-difluorocubane
PubChem CID11819150
Molecular FormulaC8H6F2
Molecular Weight140.13 g/mol
Exact Mass140.04
IUPAC Name1,4-difluorocubane
SMILESFC12C3C4C1C1C2C3C41F
InChIInChI=1S/C8H6F2/c9-7-1-2-4(7)6-5(7)3(1)8(2,6)10/h1-6H
InChIKeyGTJNRPMWTYLDCY-UHFFFAOYSA-N
XLogP1.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-difluorocubane?
The IUPAC name of 1,4-difluorocubane (CID 11819150) is 1,4-difluorocubane.
What is the SMILES notation for 1,4-difluorocubane?
The canonical SMILES for 1,4-difluorocubane is FC12C3C4C1C1C2C3C41F.
What is the InChIKey of 1,4-difluorocubane?
The InChIKey is GTJNRPMWTYLDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2/c9-7-1-2-4(7)6-5(7)3(1)8(2,6)10/h1-6H.
What are the key properties of 1,4-difluorocubane?
1,4-difluorocubane has a molecular weight of 140.13 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluorocubane is sourced from PubChem (CID 11819150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).