2-ethyl-1-(2,4,6-trifluorophenyl)pyrrolidine

C12H14F3N — CID 154695193

IUPAC2-ethyl-1-(2,4,6-trifluorophenyl)pyrrolidine
SMILESCCC1CCCN1c1c(F)cc(F)cc1F
InChIInChI=1S/C12H14F3N/c1-2-9-4-3-5-16(9)12-10(14)6-8(13)7-11(12)15/h6-7,9H,2-5H2,1H3
InChIKeyJPMADOUBZRPDSA-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.48
Rot. Bonds2

About 2-ethyl-1-(2,4,6-trifluorophenyl)pyrrolidine

2-ethyl-1-(2,4,6-trifluorophenyl)pyrrolidine (PubChem CID 154695193) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-ethyl-1-(2,4,6-trifluorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-ethyl-1-(2,4,6-trifluorophenyl)pyrrolidine
PubChem CID154695193
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-ethyl-1-(2,4,6-trifluorophenyl)pyrrolidine
SMILESCCC1CCCN1c1c(F)cc(F)cc1F
InChIInChI=1S/C12H14F3N/c1-2-9-4-3-5-16(9)12-10(14)6-8(13)7-11(12)15/h6-7,9H,2-5H2,1H3
InChIKeyJPMADOUBZRPDSA-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine
CID 107079893
N-[[4-(2-ethylpyrrolidin-1-yl)-3,5-difluorophenyl]methyl]propan-1-amine
CID 63076783
N-[[4-(2-ethylazepan-1-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 104690768
4-(2-ethylpiperidin-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81293713
4-(2-ethylpyrrolidin-1-yl)-3-fluorobenzaldehyde
CID 60973753
2-ethoxy-1,3-bis(2,4,6-trifluorophenyl)imidazolidine
CID 158012039
4-(2-ethylpyrrolidin-1-yl)-6-fluoropyrimidine
CID 115416581
[1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol
CID 63076262
4-(2-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline
CID 107258876
1-[3-(chloromethyl)-5-fluorophenyl]-2-ethylazepane
CID 106530530
2-(2-ethylazepan-1-yl)-4,5-difluoroaniline
CID 112751845
[1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 63076607

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2,4,6-trifluorophenyl)pyrrolidine?
The IUPAC name of 2-ethyl-1-(2,4,6-trifluorophenyl)pyrrolidine (CID 154695193) is 2-ethyl-1-(2,4,6-trifluorophenyl)pyrrolidine.
What is the SMILES notation for 2-ethyl-1-(2,4,6-trifluorophenyl)pyrrolidine?
The canonical SMILES for 2-ethyl-1-(2,4,6-trifluorophenyl)pyrrolidine is CCC1CCCN1c1c(F)cc(F)cc1F.
What is the InChIKey of 2-ethyl-1-(2,4,6-trifluorophenyl)pyrrolidine?
The InChIKey is JPMADOUBZRPDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-2-9-4-3-5-16(9)12-10(14)6-8(13)7-11(12)15/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-ethyl-1-(2,4,6-trifluorophenyl)pyrrolidine?
2-ethyl-1-(2,4,6-trifluorophenyl)pyrrolidine has a molecular weight of 229.24 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2,4,6-trifluorophenyl)pyrrolidine is sourced from PubChem (CID 154695193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).