(2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine

C7H9F3N2 — CID 34364265

IUPAC(2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine
SMILESNC[C@@H](c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c8-7(9,10)5(4-11)6-2-1-3-12-6/h1-3,5,12H,4,11H2/t5-/m0/s1
InChIKeyMELZBDZZXYFOEF-YFKPBYRVSA-N
MW178.16 g/mol
LogP1.62
Rot. Bonds2

About (2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine

(2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine (PubChem CID 34364265) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine
PubChem CID34364265
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name(2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine
SMILESNC[C@@H](c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c8-7(9,10)5(4-11)6-2-1-3-12-6/h1-3,5,12H,4,11H2/t5-/m0/s1
InChIKeyMELZBDZZXYFOEF-YFKPBYRVSA-N
XLogP1.62
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine
CID 2740805
1-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 55293480
(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride
CID 171201680
(1S)-4,4,4-trifluoro-1-(1H-pyrrol-2-yl)butan-1-amine;hydrochloride
CID 171221235
2-(2-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanamine
CID 82282761
2-(4-tert-butylphenyl)-2-(1H-pyrrol-2-yl)ethanamine
CID 82293454
3,3,3-trifluoro-2-(4-phenylphenyl)propan-1-amine
CID 121467476
(3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride
CID 171240212
N,2-dimethyl-1-(1H-pyrrol-2-yl)propane-1,3-diamine
CID 116948725
ethyl (3R)-3-amino-2-fluoro-3-(1H-pyrrol-2-yl)propanoate
CID 171240215
3,3,3-trifluoro-2-(4-methyl-1H-indol-3-yl)propan-1-amine
CID 84737103
3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine
CID 79016159

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine?
The IUPAC name of (2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine (CID 34364265) is (2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine?
The canonical SMILES for (2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine is NC[C@@H](c1ccc[nH]1)C(F)(F)F.
What is the InChIKey of (2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine?
The InChIKey is MELZBDZZXYFOEF-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9F3N2/c8-7(9,10)5(4-11)6-2-1-3-12-6/h1-3,5,12H,4,11H2/t5-/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine?
(2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine has a molecular weight of 178.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine is sourced from PubChem (CID 34364265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).