3,3-difluoro-2,3a,4,5,6,6a-hexahydrocyclopenta[b]furan

C7H10F2O — CID 141400247

IUPAC3,3-difluoro-2,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILESFC1(F)COC2CCCC21
InChIInChI=1S/C7H10F2O/c8-7(9)4-10-6-3-1-2-5(6)7/h5-6H,1-4H2
InChIKeyJZQWRHKKPKVOGG-UHFFFAOYSA-N
MW148.15 g/mol
LogP1.82
Rot. Bonds

About 3,3-difluoro-2,3a,4,5,6,6a-hexahydrocyclopenta[b]furan

3,3-difluoro-2,3a,4,5,6,6a-hexahydrocyclopenta[b]furan (PubChem CID 141400247) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is 3,3-difluoro-2,3a,4,5,6,6a-hexahydrocyclopenta[b]furan.

Molecular Properties

Compound Name3,3-difluoro-2,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
PubChem CID141400247
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name3,3-difluoro-2,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILESFC1(F)COC2CCCC21
InChIInChI=1S/C7H10F2O/c8-7(9)4-10-6-3-1-2-5(6)7/h5-6H,1-4H2
InChIKeyJZQWRHKKPKVOGG-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.15
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The IUPAC name of 3,3-difluoro-2,3a,4,5,6,6a-hexahydrocyclopenta[b]furan (CID 141400247) is 3,3-difluoro-2,3a,4,5,6,6a-hexahydrocyclopenta[b]furan.
What is the SMILES notation for 3,3-difluoro-2,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The canonical SMILES for 3,3-difluoro-2,3a,4,5,6,6a-hexahydrocyclopenta[b]furan is FC1(F)COC2CCCC21.
What is the InChIKey of 3,3-difluoro-2,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The InChIKey is JZQWRHKKPKVOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O/c8-7(9)4-10-6-3-1-2-5(6)7/h5-6H,1-4H2.
What are the key properties of 3,3-difluoro-2,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
3,3-difluoro-2,3a,4,5,6,6a-hexahydrocyclopenta[b]furan has a molecular weight of 148.15 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,3a,4,5,6,6a-hexahydrocyclopenta[b]furan is sourced from PubChem (CID 141400247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).