2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene

C8H10F4 — CID 139551105

IUPAC2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene
SMILESFC1(F)CC2CC(F)(F)CC2C1
InChIInChI=1S/C8H10F4/c9-7(10)1-5-2-8(11,12)4-6(5)3-7/h5-6H,1-4H2
InChIKeyLTPQWUNDFGLVEI-UHFFFAOYSA-N
MW182.16 g/mol
LogP3.08
Rot. Bonds

About 2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene

2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene (PubChem CID 139551105) has the molecular formula C8H10F4 and a molecular weight of 182.16 g/mol. Its IUPAC name is 2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene.

Molecular Properties

Compound Name2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene
PubChem CID139551105
Molecular FormulaC8H10F4
Molecular Weight182.16 g/mol
Exact Mass182.07
IUPAC Name2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene
SMILESFC1(F)CC2CC(F)(F)CC2C1
InChIInChI=1S/C8H10F4/c9-7(10)1-5-2-8(11,12)4-6(5)3-7/h5-6H,1-4H2
InChIKeyLTPQWUNDFGLVEI-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene?
The IUPAC name of 2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene (CID 139551105) is 2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene.
What is the SMILES notation for 2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene?
The canonical SMILES for 2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene is FC1(F)CC2CC(F)(F)CC2C1.
What is the InChIKey of 2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene?
The InChIKey is LTPQWUNDFGLVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4/c9-7(10)1-5-2-8(11,12)4-6(5)3-7/h5-6H,1-4H2.
What are the key properties of 2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene?
2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene has a molecular weight of 182.16 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene is sourced from PubChem (CID 139551105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).