[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone

C13H14FNO2 — CID 97377908

IUPAC[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1C[C@@H]2COC[C@H]2C1
InChIInChI=1S/C13H14FNO2/c14-12-3-1-9(2-4-12)13(16)15-5-10-7-17-8-11(10)6-15/h1-4,10-11H,5-8H2/t10-,11-/m1/s1
InChIKeyRGRFHIGLRBAOHM-GHMZBOCLSA-N
MW235.26 g/mol
LogP1.54
Rot. Bonds1

About [(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone

[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone (PubChem CID 97377908) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is [(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone
PubChem CID97377908
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1C[C@@H]2COC[C@H]2C1
InChIInChI=1S/C13H14FNO2/c14-12-3-1-9(2-4-12)13(16)15-5-10-7-17-8-11(10)6-15/h1-4,10-11H,5-8H2/t10-,11-/m1/s1
InChIKeyRGRFHIGLRBAOHM-GHMZBOCLSA-N
XLogP1.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]methanone
CID 139364476
(4-fluorophenyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone
CID 139364672
(3S,4S)-1-(4-fluorobenzoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950882
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone
CID 131643393
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c][1,2]oxazol-5-yl-(4-methylphenyl)methanone
CID 131648663
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(2,4-difluorophenoxy)phenyl]methanone
CID 120659467
(4-fluorophenyl)-(3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131659617
1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone
CID 62230828
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 87786267

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone (CID 97377908) is [(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1C[C@@H]2COC[C@H]2C1.
What is the InChIKey of [(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone?
The InChIKey is RGRFHIGLRBAOHM-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H14FNO2/c14-12-3-1-9(2-4-12)13(16)15-5-10-7-17-8-11(10)6-15/h1-4,10-11H,5-8H2/t10-,11-/m1/s1.
What are the key properties of [(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone?
[(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone has a molecular weight of 235.26 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 97377908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).