1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol

C11H20FNO — CID 131059675

IUPAC1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol
SMILESOC(CF)CN1CC[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C11H20FNO/c12-7-10(14)8-13-6-5-9-3-1-2-4-11(9)13/h9-11,14H,1-8H2/t9-,10?,11-/m0/s1
InChIKeyWEKRONLTBSWLJC-JRUYECLLSA-N
MW201.28 g/mol
LogP1.58
Rot. Bonds3

About 1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol

1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol (PubChem CID 131059675) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol
PubChem CID131059675
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol
SMILESOC(CF)CN1CC[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C11H20FNO/c12-7-10(14)8-13-6-5-9-3-1-2-4-11(9)13/h9-11,14H,1-8H2/t9-,10?,11-/m0/s1
InChIKeyWEKRONLTBSWLJC-JRUYECLLSA-N
XLogP1.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol with MolForge

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Related Compounds

1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol
CID 82749699
1-(2-cyclopentylpyrrolidin-1-yl)pentan-2-ol
CID 62044329
(2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopropan-2-ol
CID 130492481
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloropropan-2-ol
CID 112561733
(2R)-1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-2-ol
CID 103934975
1-cyclopentyl-2-(2-cyclopentylpyrrolidin-1-yl)ethanol
CID 104752736
1-(2,2-dimethoxyethyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750043
(2R)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 129413626
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-cyclohexylethanol
CID 102727879
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3,3-dimethylbutan-2-amine
CID 82746824
1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 524515
1-(2,2-difluoroethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 130841053

Frequently Asked Questions

What is the IUPAC name of 1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol?
The IUPAC name of 1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol (CID 131059675) is 1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol.
What is the SMILES notation for 1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol?
The canonical SMILES for 1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol is OC(CF)CN1CC[C@@H]2CCCC[C@@H]21.
What is the InChIKey of 1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol?
The InChIKey is WEKRONLTBSWLJC-JRUYECLLSA-N. The full InChI is InChI=1S/C11H20FNO/c12-7-10(14)8-13-6-5-9-3-1-2-4-11(9)13/h9-11,14H,1-8H2/t9-,10?,11-/m0/s1.
What are the key properties of 1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol?
1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol has a molecular weight of 201.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol is sourced from PubChem (CID 131059675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).