N-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-amine

C11H9F3N2 — CID 141167373

IUPACN-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-amine
SMILESFC(F)(F)c1cccc(Nc2ccc[nH]2)c1
InChIInChI=1S/C11H9F3N2/c12-11(13,14)8-3-1-4-9(7-8)16-10-5-2-6-15-10/h1-7,15-16H
InChIKeyPSEYXAUMYHSMPL-UHFFFAOYSA-N
MW226.20 g/mol
LogP3.78
Rot. Bonds2

About N-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-amine

N-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-amine (PubChem CID 141167373) has the molecular formula C11H9F3N2 and a molecular weight of 226.20 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-amine
PubChem CID141167373
Molecular FormulaC11H9F3N2
Molecular Weight226.20 g/mol
Exact Mass226.07
IUPAC NameN-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-amine
SMILESFC(F)(F)c1cccc(Nc2ccc[nH]2)c1
InChIInChI=1S/C11H9F3N2/c12-11(13,14)8-3-1-4-9(7-8)16-10-5-2-6-15-10/h1-7,15-16H
InChIKeyPSEYXAUMYHSMPL-UHFFFAOYSA-N
XLogP3.78
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 23362
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Pyridine, 2-benzylamino-, hydrochloride
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1-(4-Methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 848971
N-methyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine
CID 9993212
1-(3-Methylphenyl)-3-(2-pyridinyl)thiourea
CID 2730970
N-(3-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 970494
4-((1H-Imidazol-4-yl)methyl)-1-(3-(trifluoromethyl)-phenyl)piperidine
CID 49799506
N-cyano-N'-[3-(1H-imidazol-5-yl)phenyl]methanimidamide
CID 20449748
Dimethyl{4-[(2-pyridylamino)methyl]phenyl}amine
CID 975588
N-(2-phenylethyl)-5-(trifluoromethyl)-2-pyridinamine
CID 2990515

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-amine?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-amine (CID 141167373) is N-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-amine?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-amine is FC(F)(F)c1cccc(Nc2ccc[nH]2)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-amine?
The InChIKey is PSEYXAUMYHSMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2/c12-11(13,14)8-3-1-4-9(7-8)16-10-5-2-6-15-10/h1-7,15-16H.
What are the key properties of N-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-amine?
N-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-amine has a molecular weight of 226.20 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-amine is sourced from PubChem (CID 141167373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).