(2S)-2-amino-2-(7-fluoro-1H-indol-2-yl)ethanol

C10H11FN2O — CID 96754178

IUPAC(2S)-2-amino-2-(7-fluoro-1H-indol-2-yl)ethanol
SMILESN[C@H](CO)c1cc2cccc(F)c2[nH]1
InChIInChI=1S/C10H11FN2O/c11-7-3-1-2-6-4-9(8(12)5-14)13-10(6)7/h1-4,8,13-14H,5,12H2/t8-/m1/s1
InChIKeyKMFFRTBWKCLOFX-MRVPVSSYSA-N
MW194.21 g/mol
LogP1.30
Rot. Bonds2

About (2S)-2-amino-2-(7-fluoro-1H-indol-2-yl)ethanol

(2S)-2-amino-2-(7-fluoro-1H-indol-2-yl)ethanol (PubChem CID 96754178) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is (2S)-2-amino-2-(7-fluoro-1H-indol-2-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(7-fluoro-1H-indol-2-yl)ethanol
PubChem CID96754178
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name(2S)-2-amino-2-(7-fluoro-1H-indol-2-yl)ethanol
SMILESN[C@H](CO)c1cc2cccc(F)c2[nH]1
InChIInChI=1S/C10H11FN2O/c11-7-3-1-2-6-4-9(8(12)5-14)13-10(6)7/h1-4,8,13-14H,5,12H2/t8-/m1/s1
InChIKeyKMFFRTBWKCLOFX-MRVPVSSYSA-N
XLogP1.30
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(7-fluoro-1H-indol-2-yl)ethanol?
The IUPAC name of (2S)-2-amino-2-(7-fluoro-1H-indol-2-yl)ethanol (CID 96754178) is (2S)-2-amino-2-(7-fluoro-1H-indol-2-yl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(7-fluoro-1H-indol-2-yl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(7-fluoro-1H-indol-2-yl)ethanol is N[C@H](CO)c1cc2cccc(F)c2[nH]1.
What is the InChIKey of (2S)-2-amino-2-(7-fluoro-1H-indol-2-yl)ethanol?
The InChIKey is KMFFRTBWKCLOFX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-7-3-1-2-6-4-9(8(12)5-14)13-10(6)7/h1-4,8,13-14H,5,12H2/t8-/m1/s1.
What are the key properties of (2S)-2-amino-2-(7-fluoro-1H-indol-2-yl)ethanol?
(2S)-2-amino-2-(7-fluoro-1H-indol-2-yl)ethanol has a molecular weight of 194.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(7-fluoro-1H-indol-2-yl)ethanol is sourced from PubChem (CID 96754178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).