2,2,3-trifluoro-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran

C8H11F3O — CID 177256112

IUPAC2,2,3-trifluoro-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran
SMILESFC1C2CCCCC2OC1(F)F
InChIInChI=1S/C8H11F3O/c9-7-5-3-1-2-4-6(5)12-8(7,10)11/h5-7H,1-4H2
InChIKeyIZYOCXJQDMNOGO-UHFFFAOYSA-N
MW180.17 g/mol
LogP2.51
Rot. Bonds

About 2,2,3-trifluoro-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran

2,2,3-trifluoro-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran (PubChem CID 177256112) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is 2,2,3-trifluoro-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran.

Molecular Properties

Compound Name2,2,3-trifluoro-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran
PubChem CID177256112
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name2,2,3-trifluoro-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran
SMILESFC1C2CCCCC2OC1(F)F
InChIInChI=1S/C8H11F3O/c9-7-5-3-1-2-4-6(5)12-8(7,10)11/h5-7H,1-4H2
InChIKeyIZYOCXJQDMNOGO-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,3-trifluoro-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran with MolForge

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Related Compounds

Octahydro-1-benzofuran
CID 139105
(3aR,5R,7aS)-5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 167065217
2-Methyloctahydrobenzofuran
CID 547926
(2R,3aR,5R,7aS)-5-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 177853573
(2R,3aS,7S,7aR)-7-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 177853575
(2R,3aS,6S,7R,7aR)-6,7-difluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 177853576
(2R,3aR,5S,6S,7R,7aR)-5,6,7-trifluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 177853577
Benzofuran, octahydro-, trans-
CID 21122216
CID 58450281
CID 58450281
2-(1-Fluoroethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 70384054
(2R,3aS,7aR)-5-fluoro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 137417336
2-(2,2-Dimethylpropyl)-3-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 138627530

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran?
The IUPAC name of 2,2,3-trifluoro-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran (CID 177256112) is 2,2,3-trifluoro-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran.
What is the SMILES notation for 2,2,3-trifluoro-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran?
The canonical SMILES for 2,2,3-trifluoro-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran is FC1C2CCCCC2OC1(F)F.
What is the InChIKey of 2,2,3-trifluoro-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran?
The InChIKey is IZYOCXJQDMNOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O/c9-7-5-3-1-2-4-6(5)12-8(7,10)11/h5-7H,1-4H2.
What are the key properties of 2,2,3-trifluoro-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran?
2,2,3-trifluoro-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran has a molecular weight of 180.17 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran is sourced from PubChem (CID 177256112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).