2,2,2-trifluoro-N,N-dimethyl-1-(1H-pyrrol-3-yl)ethanamine

C8H11F3N2 — CID 116914360

IUPAC2,2,2-trifluoro-N,N-dimethyl-1-(1H-pyrrol-3-yl)ethanamine
SMILESCN(C)C(c1cc[nH]c1)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-13(2)7(8(9,10)11)6-3-4-12-5-6/h3-5,7,12H,1-2H3
InChIKeyYEVLDEHBJXJWLU-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.18
Rot. Bonds2

About 2,2,2-trifluoro-N,N-dimethyl-1-(1H-pyrrol-3-yl)ethanamine

2,2,2-trifluoro-N,N-dimethyl-1-(1H-pyrrol-3-yl)ethanamine (PubChem CID 116914360) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N-dimethyl-1-(1H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N-dimethyl-1-(1H-pyrrol-3-yl)ethanamine
PubChem CID116914360
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name2,2,2-trifluoro-N,N-dimethyl-1-(1H-pyrrol-3-yl)ethanamine
SMILESCN(C)C(c1cc[nH]c1)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-13(2)7(8(9,10)11)6-3-4-12-5-6/h3-5,7,12H,1-2H3
InChIKeyYEVLDEHBJXJWLU-UHFFFAOYSA-N
XLogP2.18
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine
CID 82280266
2,2,2-trifluoro-N,N-dimethyl-1-pyridin-4-ylethanamine
CID 116914393
1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914319
1,1,1,5,5,5-hexafluoro-2,4-bis(1H-pyrrol-3-yl)pentan-3-one
CID 140967876
4-[dimethylamino(1H-pyrrol-3-yl)methyl]benzoic acid
CID 116908445
1-(3-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914390
2,2,2-trifluoro-N,N-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 116914316
methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate
CID 116857108
3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine
CID 116907314
3-(1,3-dichloro-3,3-difluoropropyl)-1H-pyrrole
CID 150047183
N,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116905378
N,N,N'-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116905271

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N,N-dimethyl-1-(1H-pyrrol-3-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N,N-dimethyl-1-(1H-pyrrol-3-yl)ethanamine (CID 116914360) is 2,2,2-trifluoro-N,N-dimethyl-1-(1H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N,N-dimethyl-1-(1H-pyrrol-3-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N,N-dimethyl-1-(1H-pyrrol-3-yl)ethanamine is CN(C)C(c1cc[nH]c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N,N-dimethyl-1-(1H-pyrrol-3-yl)ethanamine?
The InChIKey is YEVLDEHBJXJWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-13(2)7(8(9,10)11)6-3-4-12-5-6/h3-5,7,12H,1-2H3.
What are the key properties of 2,2,2-trifluoro-N,N-dimethyl-1-(1H-pyrrol-3-yl)ethanamine?
2,2,2-trifluoro-N,N-dimethyl-1-(1H-pyrrol-3-yl)ethanamine has a molecular weight of 192.18 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N,N-dimethyl-1-(1H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 116914360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).