1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrole

C9H12F3NO — CID 154656226

IUPAC1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrole
SMILESCCOCCn1ccc(C(F)(F)F)c1
InChIInChI=1S/C9H12F3NO/c1-2-14-6-5-13-4-3-8(7-13)9(10,11)12/h3-4,7H,2,5-6H2,1H3
InChIKeyADCTUADJENQXIB-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.54
Rot. Bonds4

About 1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrole

1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrole (PubChem CID 154656226) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrole.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrole
PubChem CID154656226
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrole
SMILESCCOCCn1ccc(C(F)(F)F)c1
InChIInChI=1S/C9H12F3NO/c1-2-14-6-5-13-4-3-8(7-13)9(10,11)12/h3-4,7H,2,5-6H2,1H3
InChIKeyADCTUADJENQXIB-UHFFFAOYSA-N
XLogP2.54
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-1H-pyrrole
CID 10964417
1-(methoxymethyl)-1H-pyrrole
CID 12632246
1-(1-Methoxypropan-2-yl)-1H-pyrrole
CID 5036497
3-(2-Resp-3-methyl-1-pyrrolyl)propanol
CID 70163108
1-[1,1,2-Trifluoro-2-(trifluoromethoxy)ethyl]-1 H pyrrole
CID 24880294
1-Ethyl-3-methyl-1H-pyrrole
CID 12260467
1-(2-Acetoxyethyl)pyrrole
CID 12674764
1H-Pyrrole, 1-(oxiranylmethyl)-
CID 13835396
1-(2-Methoxyethyl)-1H-pyrrole
CID 14814650
N-[2-(vinyloxy)ethyl]pyrrole
CID 85816906
1H-Pyrrole, 1-methyl-3-(trifluoromethyl)-
CID 10464487
1-Tert-butyl-3-(trifluoromethyl)pyrrole
CID 20753565

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrole?
The IUPAC name of 1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrole (CID 154656226) is 1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrole.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrole?
The canonical SMILES for 1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrole is CCOCCn1ccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrole?
The InChIKey is ADCTUADJENQXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-2-14-6-5-13-4-3-8(7-13)9(10,11)12/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrole?
1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrole has a molecular weight of 207.19 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrole is sourced from PubChem (CID 154656226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).