(4S)-4-fluoro-2-methylindol-4-ol

C9H8FNO — CID 97304782

IUPAC(4S)-4-fluoro-2-methylindol-4-ol
SMILESCC1=NC2=CC=C[C@](O)(F)C2=C1
InChIInChI=1S/C9H8FNO/c1-6-5-7-8(11-6)3-2-4-9(7,10)12/h2-5,12H,1H3/t9-/m1/s1
InChIKeyLSSPHBHAJWUSLA-SECBINFHSA-N
MW165.17 g/mol
LogP1.50
Rot. Bonds

About (4S)-4-fluoro-2-methylindol-4-ol

(4S)-4-fluoro-2-methylindol-4-ol (PubChem CID 97304782) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is (4S)-4-fluoro-2-methylindol-4-ol.

Molecular Properties

Compound Name(4S)-4-fluoro-2-methylindol-4-ol
PubChem CID97304782
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name(4S)-4-fluoro-2-methylindol-4-ol
SMILESCC1=NC2=CC=C[C@](O)(F)C2=C1
InChIInChI=1S/C9H8FNO/c1-6-5-7-8(11-6)3-2-4-9(7,10)12/h2-5,12H,1H3/t9-/m1/s1
InChIKeyLSSPHBHAJWUSLA-SECBINFHSA-N
XLogP1.50
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-fluoro-2-methylindol-4-ol?
The IUPAC name of (4S)-4-fluoro-2-methylindol-4-ol (CID 97304782) is (4S)-4-fluoro-2-methylindol-4-ol.
What is the SMILES notation for (4S)-4-fluoro-2-methylindol-4-ol?
The canonical SMILES for (4S)-4-fluoro-2-methylindol-4-ol is CC1=NC2=CC=C[C@](O)(F)C2=C1.
What is the InChIKey of (4S)-4-fluoro-2-methylindol-4-ol?
The InChIKey is LSSPHBHAJWUSLA-SECBINFHSA-N. The full InChI is InChI=1S/C9H8FNO/c1-6-5-7-8(11-6)3-2-4-9(7,10)12/h2-5,12H,1H3/t9-/m1/s1.
What are the key properties of (4S)-4-fluoro-2-methylindol-4-ol?
(4S)-4-fluoro-2-methylindol-4-ol has a molecular weight of 165.17 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-fluoro-2-methylindol-4-ol is sourced from PubChem (CID 97304782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).