(3aS,8bR)-4-ethyl-8b-fluoro-2,3a-dihydro-1H-furo[2,3-b]indole

C12H14FNO — CID 146293190

IUPAC(3aS,8bR)-4-ethyl-8b-fluoro-2,3a-dihydro-1H-furo[2,3-b]indole
SMILESCCN1c2ccccc2[C@]2(F)CCO[C@H]12
InChIInChI=1S/C12H14FNO/c1-2-14-10-6-4-3-5-9(10)12(13)7-8-15-11(12)14/h3-6,11H,2,7-8H2,1H3/t11-,12+/m0/s1
InChIKeyBQTQXMWXIMUJGE-NWDGAFQWSA-N
MW207.25 g/mol
LogP2.44
Rot. Bonds1

About (3aS,8bR)-4-ethyl-8b-fluoro-2,3a-dihydro-1H-furo[2,3-b]indole

(3aS,8bR)-4-ethyl-8b-fluoro-2,3a-dihydro-1H-furo[2,3-b]indole (PubChem CID 146293190) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is (3aS,8bR)-4-ethyl-8b-fluoro-2,3a-dihydro-1H-furo[2,3-b]indole.

Molecular Properties

Compound Name(3aS,8bR)-4-ethyl-8b-fluoro-2,3a-dihydro-1H-furo[2,3-b]indole
PubChem CID146293190
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name(3aS,8bR)-4-ethyl-8b-fluoro-2,3a-dihydro-1H-furo[2,3-b]indole
SMILESCCN1c2ccccc2[C@]2(F)CCO[C@H]12
InChIInChI=1S/C12H14FNO/c1-2-14-10-6-4-3-5-9(10)12(13)7-8-15-11(12)14/h3-6,11H,2,7-8H2,1H3/t11-,12+/m0/s1
InChIKeyBQTQXMWXIMUJGE-NWDGAFQWSA-N
XLogP2.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aS,8bR)-4-ethyl-8b-fluoro-2,3a-dihydro-1H-furo[2,3-b]indole with MolForge

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Related Compounds

(3aS,8bR)-8b-fluoro-4-methyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-ol
CID 167078390
(3aS,8bR)-4-[(4-methoxyphenyl)methyl]-2,3a-dihydro-1H-furo[2,3-b]indol-8b-ol
CID 101452309
(3aR,8bR)-8b-methyl-4-phenyl-2,3a-dihydro-1H-furo[2,3-b]indole
CID 6542885
(3aS,8bR)-4-benzyl-8b-(2,2-dimethoxyethyl)-2,3a-dihydro-1H-furo[2,3-b]indole
CID 102494492
1-[(4aS,9bS)-9b-methyl-3,4a-dihydro-2H-[1,4]dioxino[2,3-b]indol-5-yl]ethanone
CID 162409775
(2R)-2-[[(3aR,8bR)-8b-hydroxy-2,3a-dihydro-1H-furo[2,3-b]indol-4-yl]methyl]-4-butyl-2,5-dimethylcyclopent-4-ene-1,3-dione
CID 134940141
5,5-difluoro-1-methyl-3,4-dihydro-1H-2-benzoxepine
CID 165409714
1-chloro-3-(1-ethyl-3,3-dimethyl-2H-indol-2-yl)propan-2-one
CID 123375800
2-chloro-1,3-diethyl-2H-benzimidazole
CID 69082202
1,3-diethyl-2-iodo-2H-benzimidazole
CID 67548155
1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352101
1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine]
CID 59337719

Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-4-ethyl-8b-fluoro-2,3a-dihydro-1H-furo[2,3-b]indole?
The IUPAC name of (3aS,8bR)-4-ethyl-8b-fluoro-2,3a-dihydro-1H-furo[2,3-b]indole (CID 146293190) is (3aS,8bR)-4-ethyl-8b-fluoro-2,3a-dihydro-1H-furo[2,3-b]indole.
What is the SMILES notation for (3aS,8bR)-4-ethyl-8b-fluoro-2,3a-dihydro-1H-furo[2,3-b]indole?
The canonical SMILES for (3aS,8bR)-4-ethyl-8b-fluoro-2,3a-dihydro-1H-furo[2,3-b]indole is CCN1c2ccccc2[C@]2(F)CCO[C@H]12.
What is the InChIKey of (3aS,8bR)-4-ethyl-8b-fluoro-2,3a-dihydro-1H-furo[2,3-b]indole?
The InChIKey is BQTQXMWXIMUJGE-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H14FNO/c1-2-14-10-6-4-3-5-9(10)12(13)7-8-15-11(12)14/h3-6,11H,2,7-8H2,1H3/t11-,12+/m0/s1.
What are the key properties of (3aS,8bR)-4-ethyl-8b-fluoro-2,3a-dihydro-1H-furo[2,3-b]indole?
(3aS,8bR)-4-ethyl-8b-fluoro-2,3a-dihydro-1H-furo[2,3-b]indole has a molecular weight of 207.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-4-ethyl-8b-fluoro-2,3a-dihydro-1H-furo[2,3-b]indole is sourced from PubChem (CID 146293190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).