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

C7H9F3N2 — CID 162044080

IUPAC(1S)-1-[4-(trifluoromethyl)-3H-pyrrol-2-yl]ethanamine
SMILESC[C@H](N)C1=NC=C(C(F)(F)F)C1
InChIInChI=1S/C7H9F3N2/c1-4(11)6-2-5(3-12-6)7(8,9)10/h3-4H,2,11H2,1H3/t4-/m0/s1
InChIKeyPASSKUHLZVBHIT-BYPYZUCNSA-N
MW178.16 g/mol
LogP1.62
Rot. Bonds1

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

(1S)-1-[4-(trifluoromethyl)-3H-pyrrol-2-yl]ethanamine (PubChem CID 162044080) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is (1S)-1-[4-(trifluoromethyl)-3H-pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(trifluoromethyl)-3H-pyrrol-2-yl]ethanamine
PubChem CID162044080
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name(1S)-1-[4-(trifluoromethyl)-3H-pyrrol-2-yl]ethanamine
SMILESC[C@H](N)C1=NC=C(C(F)(F)F)C1
InChIInChI=1S/C7H9F3N2/c1-4(11)6-2-5(3-12-6)7(8,9)10/h3-4H,2,11H2,1H3/t4-/m0/s1
InChIKeyPASSKUHLZVBHIT-BYPYZUCNSA-N
XLogP1.62
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]iminohex-5-en-2-amine
CID 163897078
(E)-3-methyl-4-(4,4,4-trifluorobutan-2-ylideneamino)but-3-en-1-amine
CID 143509098
N-[[4-(trifluoromethyl)-3H-pyrrol-2-yl]methyl]propan-2-amine
CID 157869106
CID 58427161
CID 58427161
(1R)-1-(4-methyl-3H-pyrrol-2-yl)ethanamine
CID 123561621
(Z)-2-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-1-amine
CID 142624858
2,5-Dimethyl-3,4-dihydropyridin-3-amine
CID 177034973
2-(2-methyl-3H-pyrrol-4-yl)ethanamine
CID 177319784
2-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-1-amine
CID 149317462

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(trifluoromethyl)-3H-pyrrol-2-yl]ethanamine?
The IUPAC name of (1S)-1-[4-(trifluoromethyl)-3H-pyrrol-2-yl]ethanamine (CID 162044080) is (1S)-1-[4-(trifluoromethyl)-3H-pyrrol-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(trifluoromethyl)-3H-pyrrol-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[4-(trifluoromethyl)-3H-pyrrol-2-yl]ethanamine is C[C@H](N)C1=NC=C(C(F)(F)F)C1.
What is the InChIKey of (1S)-1-[4-(trifluoromethyl)-3H-pyrrol-2-yl]ethanamine?
The InChIKey is PASSKUHLZVBHIT-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-4(11)6-2-5(3-12-6)7(8,9)10/h3-4H,2,11H2,1H3/t4-/m0/s1.
What are the key properties of (1S)-1-[4-(trifluoromethyl)-3H-pyrrol-2-yl]ethanamine?
(1S)-1-[4-(trifluoromethyl)-3H-pyrrol-2-yl]ethanamine has a molecular weight of 178.16 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(trifluoromethyl)-3H-pyrrol-2-yl]ethanamine is sourced from PubChem (CID 162044080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).