(2S)-1-(5-fluoroindol-1-yl)propan-2-ol

C11H12FNO — CID 54045711

IUPAC(2S)-1-(5-fluoroindol-1-yl)propan-2-ol
SMILESC[C@H](O)Cn1ccc2cc(F)ccc21
InChIInChI=1S/C11H12FNO/c1-8(14)7-13-5-4-9-6-10(12)2-3-11(9)13/h2-6,8,14H,7H2,1H3/t8-/m0/s1
InChIKeyLPLAKSONRCVWSV-QMMMGPOBSA-N
MW193.22 g/mol
LogP2.16
Rot. Bonds2

About (2S)-1-(5-fluoroindol-1-yl)propan-2-ol

(2S)-1-(5-fluoroindol-1-yl)propan-2-ol (PubChem CID 54045711) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is (2S)-1-(5-fluoroindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(5-fluoroindol-1-yl)propan-2-ol
PubChem CID54045711
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name(2S)-1-(5-fluoroindol-1-yl)propan-2-ol
SMILESC[C@H](O)Cn1ccc2cc(F)ccc21
InChIInChI=1S/C11H12FNO/c1-8(14)7-13-5-4-9-6-10(12)2-3-11(9)13/h2-6,8,14H,7H2,1H3/t8-/m0/s1
InChIKeyLPLAKSONRCVWSV-QMMMGPOBSA-N
XLogP2.16
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-fluoroindol-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(5-fluoroindol-1-yl)propan-2-ol (CID 54045711) is (2S)-1-(5-fluoroindol-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(5-fluoroindol-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(5-fluoroindol-1-yl)propan-2-ol is C[C@H](O)Cn1ccc2cc(F)ccc21.
What is the InChIKey of (2S)-1-(5-fluoroindol-1-yl)propan-2-ol?
The InChIKey is LPLAKSONRCVWSV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12FNO/c1-8(14)7-13-5-4-9-6-10(12)2-3-11(9)13/h2-6,8,14H,7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-(5-fluoroindol-1-yl)propan-2-ol?
(2S)-1-(5-fluoroindol-1-yl)propan-2-ol has a molecular weight of 193.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-fluoroindol-1-yl)propan-2-ol is sourced from PubChem (CID 54045711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).