(2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-ol

C7H9F3N2O — CID 125181066

IUPAC(2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-ol
SMILESN[C@@](CO)(c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)6(11,4-13)5-2-1-3-12-5/h1-3,12-13H,4,11H2/t6-/m0/s1
InChIKeyUTEAIOYUCXSUAU-LURJTMIESA-N
MW194.16 g/mol
LogP0.72
Rot. Bonds2

About (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-ol

(2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-ol (PubChem CID 125181066) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-ol
PubChem CID125181066
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name(2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-ol
SMILESN[C@@](CO)(c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)6(11,4-13)5-2-1-3-12-5/h1-3,12-13H,4,11H2/t6-/m0/s1
InChIKeyUTEAIOYUCXSUAU-LURJTMIESA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid
CID 125180929
3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine
CID 116838553
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrrole
CID 10249466
(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
CID 25192384
2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol
CID 130021958
(2R)-2-amino-2-(1H-pyrrol-2-yl)propanoic acid
CID 130971072
3,3-difluoro-3-(1H-pyrrol-2-yl)propanenitrile
CID 116840739
1,1-bis(1H-pyrrol-2-yl)propan-1-ol
CID 70449825
2-methyl-2-(1H-pyrrol-2-yl)propane-1-thiol
CID 116866465
3-[(2S)-2-amino-1-hydroxypropan-2-yl]-1H-pyridin-2-one
CID 55275061
dinaphthalen-1-yl(1H-pyrrol-2-yl)methanol
CID 141216963
(3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride
CID 171240212

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-ol?
The IUPAC name of (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-ol (CID 125181066) is (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-ol?
The canonical SMILES for (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-ol is N[C@@](CO)(c1ccc[nH]1)C(F)(F)F.
What is the InChIKey of (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-ol?
The InChIKey is UTEAIOYUCXSUAU-LURJTMIESA-N. The full InChI is InChI=1S/C7H9F3N2O/c8-7(9,10)6(11,4-13)5-2-1-3-12-5/h1-3,12-13H,4,11H2/t6-/m0/s1.
What are the key properties of (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-ol?
(2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-ol has a molecular weight of 194.16 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-ol is sourced from PubChem (CID 125181066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).