(3S,3aS,6R,6aR)-3-ethyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C8H13FO2 — CID 170419213

IUPAC(3S,3aS,6R,6aR)-3-ethyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC[C@H]1CO[C@@H]2[C@H]1OC[C@H]2F
InChIInChI=1S/C8H13FO2/c1-2-5-3-10-8-6(9)4-11-7(5)8/h5-8H,2-4H2,1H3/t5-,6+,7-,8-/m0/s1
InChIKeyFYUBDGILCKNFDQ-YWIQKCBGSA-N
MW160.19 g/mol
LogP1.15
Rot. Bonds1

About (3S,3aS,6R,6aR)-3-ethyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3S,3aS,6R,6aR)-3-ethyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 170419213) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is (3S,3aS,6R,6aR)-3-ethyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3S,3aS,6R,6aR)-3-ethyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID170419213
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name(3S,3aS,6R,6aR)-3-ethyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC[C@H]1CO[C@@H]2[C@H]1OC[C@H]2F
InChIInChI=1S/C8H13FO2/c1-2-5-3-10-8-6(9)4-11-7(5)8/h5-8H,2-4H2,1H3/t5-,6+,7-,8-/m0/s1
InChIKeyFYUBDGILCKNFDQ-YWIQKCBGSA-N
XLogP1.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,3aS,6R,6aR)-3-ethyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan with MolForge

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Related Compounds

(3R,3aR,6S,6aR)-6-(difluoromethyl)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 58208586
(3R,3aR,6R,6aR)-6-(difluoromethyl)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 58208594
6-Fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90140592
(3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 138719581
(3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 139315603
(3aR,6S,6aS)-6-fluoro-3a-methyl-3,5,6,6a-tetrahydro-2H-furo[3,2-b]furan
CID 143900803
(3R,3aS,6S,6aR)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 167164359
(3R,3aR,6S,6aS)-6-fluoro-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 167164361
(3S,3aR,6aS)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 167164362
(3R,3aS,6aR)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 167164366
(3R,3aR,6aS)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 167164367
(3S,3aS)-6,6-difluoro-3-methyl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 167164405

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6R,6aR)-3-ethyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3S,3aS,6R,6aR)-3-ethyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 170419213) is (3S,3aS,6R,6aR)-3-ethyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3S,3aS,6R,6aR)-3-ethyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3S,3aS,6R,6aR)-3-ethyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CC[C@H]1CO[C@@H]2[C@H]1OC[C@H]2F.
What is the InChIKey of (3S,3aS,6R,6aR)-3-ethyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is FYUBDGILCKNFDQ-YWIQKCBGSA-N. The full InChI is InChI=1S/C8H13FO2/c1-2-5-3-10-8-6(9)4-11-7(5)8/h5-8H,2-4H2,1H3/t5-,6+,7-,8-/m0/s1.
What are the key properties of (3S,3aS,6R,6aR)-3-ethyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3S,3aS,6R,6aR)-3-ethyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 160.19 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6R,6aR)-3-ethyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 170419213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).