(3aR,6R,6aR)-6-ethyl-3a-(2-fluorophenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan

C14H17FO2 — CID 59621298

IUPAC(3aR,6R,6aR)-6-ethyl-3a-(2-fluorophenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
SMILESCC[C@H]1OC[C@]2(c3ccccc3F)COC[C@H]12
InChIInChI=1S/C14H17FO2/c1-2-13-11-7-16-8-14(11,9-17-13)10-5-3-4-6-12(10)15/h3-6,11,13H,2,7-9H2,1H3/t11-,13-,14+/m1/s1
InChIKeyGGMIRGKNKSVXQF-BNOWGMLFSA-N
MW236.29 g/mol
LogP2.52
Rot. Bonds2

About (3aR,6R,6aR)-6-ethyl-3a-(2-fluorophenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan

(3aR,6R,6aR)-6-ethyl-3a-(2-fluorophenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan (PubChem CID 59621298) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is (3aR,6R,6aR)-6-ethyl-3a-(2-fluorophenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan.

Molecular Properties

Compound Name(3aR,6R,6aR)-6-ethyl-3a-(2-fluorophenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
PubChem CID59621298
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name(3aR,6R,6aR)-6-ethyl-3a-(2-fluorophenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan
SMILESCC[C@H]1OC[C@]2(c3ccccc3F)COC[C@H]12
InChIInChI=1S/C14H17FO2/c1-2-13-11-7-16-8-14(11,9-17-13)10-5-3-4-6-12(10)15/h3-6,11,13H,2,7-9H2,1H3/t11-,13-,14+/m1/s1
InChIKeyGGMIRGKNKSVXQF-BNOWGMLFSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,6R,6aR)-6-ethyl-3a-(2-fluorophenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan with MolForge

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Related Compounds

(3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran
CID 58406095
N-[(4aS,5R)-5-ethyl-7a-(2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-yl]benzamide
CID 70259655
7a-(2-fluorophenyl)-4-methyl-1,3,3a,4,5,7-hexahydropyrano[3,4-c][1,2]oxazole
CID 70231437
1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene
CID 22420584
2-[2-(2-fluorophenyl)-2-methyl-1,3-dioxolan-4-yl]ethanamine
CID 117169899
(5S)-5-fluoro-8a-(2-fluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 70229637
(3aS,5S,6aR)-5-[(3,4-difluorophenyl)methoxy]-3a-(2-fluorophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]furan
CID 157091197
[(3R,4S,6S)-4-amino-6-ethyl-4-(2-fluorophenyl)oxan-3-yl]methanol
CID 59621338
[(2S,4R,5S)-5-amino-2-ethyl-5-(2-fluorophenyl)oxan-4-yl]methanol
CID 58406074
[4-amino-4-(2-fluorophenyl)-2-(methoxymethyl)oxolan-3-yl]methanol
CID 67477691
(4R)-4-(2-fluorophenyl)-4-methyl-2-propyl-5H-1,3-oxazole
CID 143728749
(3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid
CID 66868946

Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aR)-6-ethyl-3a-(2-fluorophenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan?
The IUPAC name of (3aR,6R,6aR)-6-ethyl-3a-(2-fluorophenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan (CID 59621298) is (3aR,6R,6aR)-6-ethyl-3a-(2-fluorophenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan.
What is the SMILES notation for (3aR,6R,6aR)-6-ethyl-3a-(2-fluorophenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan?
The canonical SMILES for (3aR,6R,6aR)-6-ethyl-3a-(2-fluorophenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan is CC[C@H]1OC[C@]2(c3ccccc3F)COC[C@H]12.
What is the InChIKey of (3aR,6R,6aR)-6-ethyl-3a-(2-fluorophenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan?
The InChIKey is GGMIRGKNKSVXQF-BNOWGMLFSA-N. The full InChI is InChI=1S/C14H17FO2/c1-2-13-11-7-16-8-14(11,9-17-13)10-5-3-4-6-12(10)15/h3-6,11,13H,2,7-9H2,1H3/t11-,13-,14+/m1/s1.
What are the key properties of (3aR,6R,6aR)-6-ethyl-3a-(2-fluorophenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan?
(3aR,6R,6aR)-6-ethyl-3a-(2-fluorophenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan has a molecular weight of 236.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aR)-6-ethyl-3a-(2-fluorophenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan is sourced from PubChem (CID 59621298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).