(2R)-2-amino-3-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-ol

C8H12F3N3O — CID 165447061

IUPAC(2R)-2-amino-3-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-ol
SMILESN[C@@H](CO)Cc1cn(CC(F)(F)F)cn1
InChIInChI=1S/C8H12F3N3O/c9-8(10,11)4-14-2-7(13-5-14)1-6(12)3-15/h2,5-6,15H,1,3-4,12H2/t6-/m1/s1
InChIKeyRSHKZQOXAOKCMT-ZCFIWIBFSA-N
MW223.20 g/mol
LogP0.31
Rot. Bonds4

About (2R)-2-amino-3-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-ol

(2R)-2-amino-3-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-ol (PubChem CID 165447061) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is (2R)-2-amino-3-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-ol
PubChem CID165447061
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name(2R)-2-amino-3-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-ol
SMILESN[C@@H](CO)Cc1cn(CC(F)(F)F)cn1
InChIInChI=1S/C8H12F3N3O/c9-8(10,11)4-14-2-7(13-5-14)1-6(12)3-15/h2,5-6,15H,1,3-4,12H2/t6-/m1/s1
InChIKeyRSHKZQOXAOKCMT-ZCFIWIBFSA-N
XLogP0.31
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

L-Histidinol
CID 165271
Histidinol
CID 776
3-(1H-imidazol-4-yl)propan-1-ol hydrochloride
CID 21715365
L-Histidinol dihydrochloride
CID 197743
3-(1H-imidazol-4-yl)propan-1-ol
CID 572700
L-histidinol(1+)
CID 6950298
DL-Histidinol Dihydrochloride
CID 356204
D-Histidinol
CID 736174
(R)-2-Amino-3-(1H-imidazol-4-yl)propan-1-ol dihydrochloride
CID 12310525
3-(1-methyl-1H-imidazol-5-yl)propan-1-ol
CID 45087839
N-3'-(2-hydroxypropyl)histidine
CID 133759
4-amino-3-(1-methyl-1H-imidazol-5-yl)butan-1-ol
CID 66118006

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-3-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-ol (CID 165447061) is (2R)-2-amino-3-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-ol is N[C@@H](CO)Cc1cn(CC(F)(F)F)cn1.
What is the InChIKey of (2R)-2-amino-3-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-ol?
The InChIKey is RSHKZQOXAOKCMT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12F3N3O/c9-8(10,11)4-14-2-7(13-5-14)1-6(12)3-15/h2,5-6,15H,1,3-4,12H2/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-ol?
(2R)-2-amino-3-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-ol has a molecular weight of 223.20 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]propan-1-ol is sourced from PubChem (CID 165447061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).