(3aS,7S)-7-fluoro-3-hexan-3-yl-3a,4,5,6,7,7a-hexahydro-1H-indole

C14H24FN — CID 167205008

IUPAC(3aS,7S)-7-fluoro-3-hexan-3-yl-3a,4,5,6,7,7a-hexahydro-1H-indole
SMILESCCCC(CC)C1=CNC2[C@@H](F)CCC[C@@H]12
InChIInChI=1S/C14H24FN/c1-3-6-10(4-2)12-9-16-14-11(12)7-5-8-13(14)15/h9-11,13-14,16H,3-8H2,1-2H3/t10?,11-,13-,14?/m0/s1
InChIKeyGNLOZAUOJSBUTL-QGPNDVEFSA-N
MW225.35 g/mol
LogP3.81
Rot. Bonds4

About (3aS,7S)-7-fluoro-3-hexan-3-yl-3a,4,5,6,7,7a-hexahydro-1H-indole

(3aS,7S)-7-fluoro-3-hexan-3-yl-3a,4,5,6,7,7a-hexahydro-1H-indole (PubChem CID 167205008) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is (3aS,7S)-7-fluoro-3-hexan-3-yl-3a,4,5,6,7,7a-hexahydro-1H-indole.

Molecular Properties

Compound Name(3aS,7S)-7-fluoro-3-hexan-3-yl-3a,4,5,6,7,7a-hexahydro-1H-indole
PubChem CID167205008
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name(3aS,7S)-7-fluoro-3-hexan-3-yl-3a,4,5,6,7,7a-hexahydro-1H-indole
SMILESCCCC(CC)C1=CNC2[C@@H](F)CCC[C@@H]12
InChIInChI=1S/C14H24FN/c1-3-6-10(4-2)12-9-16-14-11(12)7-5-8-13(14)15/h9-11,13-14,16H,3-8H2,1-2H3/t10?,11-,13-,14?/m0/s1
InChIKeyGNLOZAUOJSBUTL-QGPNDVEFSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3aS,7S)-7-fluoro-3-hexan-3-yl-3a,4,5,6,7,7a-hexahydro-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

7-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole
CID 140575139
2-ethyl-4-fluoro-3-propyl-2,3-dihydro-1H-pyrrole
CID 141793033
3-Fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine
CID 146299779
1-[(8aR)-6,7-difluoro-1,2,4a,5,6,7,8,8a-octahydroisoquinolin-4-yl]-N-methylpropan-2-amine
CID 154939639
cis-(1S,3R)-3-fluoro-N-methyl-2-(2-methylbut-3-enyl)cyclohexan-1-amine
CID 163693207
N-ethyl-2-(5-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)-N-methylethanamine
CID 165001170
(7S,7aR)-7-fluoro-5-methyl-3-(1-methylpyrrolidin-3-yl)-3a,4,5,6,7,7a-hexahydro-1H-indole
CID 167204204
(7aR)-3-[(1-ethylpyrrolidin-2-yl)methyl]-7-fluoro-5-methyl-3a,4,5,6,7,7a-hexahydro-1H-indole
CID 167204505
N-[2-[(3aS,6S)-5-fluoro-6-methyl-3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl]ethyl]-N-ethylpropan-1-amine
CID 174024826
(1s,2s,4r)-1-Methyl-4-(1-methylethenyl)-2-(methylamino)cyclohexane
CID 129868850
5-fluoro-3a,4,5,6,7,7a-hexahydro-1H-indole
CID 42608944
5-fluoro-3-methyl-3a,4,5,6,7,7a-hexahydro-1H-indole
CID 42608985

Frequently Asked Questions

What is the IUPAC name of (3aS,7S)-7-fluoro-3-hexan-3-yl-3a,4,5,6,7,7a-hexahydro-1H-indole?
The IUPAC name of (3aS,7S)-7-fluoro-3-hexan-3-yl-3a,4,5,6,7,7a-hexahydro-1H-indole (CID 167205008) is (3aS,7S)-7-fluoro-3-hexan-3-yl-3a,4,5,6,7,7a-hexahydro-1H-indole.
What is the SMILES notation for (3aS,7S)-7-fluoro-3-hexan-3-yl-3a,4,5,6,7,7a-hexahydro-1H-indole?
The canonical SMILES for (3aS,7S)-7-fluoro-3-hexan-3-yl-3a,4,5,6,7,7a-hexahydro-1H-indole is CCCC(CC)C1=CNC2[C@@H](F)CCC[C@@H]12.
What is the InChIKey of (3aS,7S)-7-fluoro-3-hexan-3-yl-3a,4,5,6,7,7a-hexahydro-1H-indole?
The InChIKey is GNLOZAUOJSBUTL-QGPNDVEFSA-N. The full InChI is InChI=1S/C14H24FN/c1-3-6-10(4-2)12-9-16-14-11(12)7-5-8-13(14)15/h9-11,13-14,16H,3-8H2,1-2H3/t10?,11-,13-,14?/m0/s1.
What are the key properties of (3aS,7S)-7-fluoro-3-hexan-3-yl-3a,4,5,6,7,7a-hexahydro-1H-indole?
(3aS,7S)-7-fluoro-3-hexan-3-yl-3a,4,5,6,7,7a-hexahydro-1H-indole has a molecular weight of 225.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7S)-7-fluoro-3-hexan-3-yl-3a,4,5,6,7,7a-hexahydro-1H-indole is sourced from PubChem (CID 167205008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).