(2S)-2-amino-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]ethanol

C7H9F3N2O — CID 130741102

IUPAC(2S)-2-amino-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]ethanol
SMILESN[C@H](CO)c1c[nH]cc1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)5-2-12-1-4(5)6(11)3-13/h1-2,6,12-13H,3,11H2/t6-/m1/s1
InChIKeyJFUKMYRRGMRNDP-ZCFIWIBFSA-N
MW194.16 g/mol
LogP1.03
Rot. Bonds2

About (2S)-2-amino-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]ethanol

(2S)-2-amino-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]ethanol (PubChem CID 130741102) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is (2S)-2-amino-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]ethanol
PubChem CID130741102
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name(2S)-2-amino-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]ethanol
SMILESN[C@H](CO)c1c[nH]cc1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)5-2-12-1-4(5)6(11)3-13/h1-2,6,12-13H,3,11H2/t6-/m1/s1
InChIKeyJFUKMYRRGMRNDP-ZCFIWIBFSA-N
XLogP1.03
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.03
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-[4-(trifluoromethyl)-1H-pyrrol-3-yl]ethanol?
The IUPAC name of (2S)-2-amino-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]ethanol (CID 130741102) is (2S)-2-amino-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]ethanol is N[C@H](CO)c1c[nH]cc1C(F)(F)F.
What is the InChIKey of (2S)-2-amino-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]ethanol?
The InChIKey is JFUKMYRRGMRNDP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9F3N2O/c8-7(9,10)5-2-12-1-4(5)6(11)3-13/h1-2,6,12-13H,3,11H2/t6-/m1/s1.
What are the key properties of (2S)-2-amino-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]ethanol?
(2S)-2-amino-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]ethanol has a molecular weight of 194.16 g/mol, XLogP of 1.03, 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-[4-(trifluoromethyl)-1H-pyrrol-3-yl]ethanol is sourced from PubChem (CID 130741102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).