1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole

C9H12F3NO — CID 63811434

IUPAC1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole
SMILESFC(F)(F)COCCCn1cccc1
InChIInChI=1S/C9H12F3NO/c10-9(11,12)8-14-7-3-6-13-4-1-2-5-13/h1-2,4-5H,3,6-8H2
InChIKeyOBBAGWIPFQMPMI-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.46
Rot. Bonds5

About 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole

1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole (PubChem CID 63811434) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole
PubChem CID63811434
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole
SMILESFC(F)(F)COCCCn1cccc1
InChIInChI=1S/C9H12F3NO/c10-9(11,12)8-14-7-3-6-13-4-1-2-5-13/h1-2,4-5H,3,6-8H2
InChIKeyOBBAGWIPFQMPMI-UHFFFAOYSA-N
XLogP2.46
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.46
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-Ethylpyrrole
CID 185226
1-(2-Hydroxyethyl)pyrrole
CID 10975438
1-(prop-2-en-1-yl)-1H-pyrrole
CID 527525
1-Butylpyrrole
CID 68529
1-(3-Hydroxypropyl)pyrrole
CID 12794991
1-(2-(oxiran-2-yl)ethyl)-1H-pyrrole
CID 13741366
1-(Trifluoroacetyl)pyrrole
CID 23352308
1H-Pyrrole, 1-propyl-
CID 521329
1-Vinylpyrrole
CID 5324683
1-(methoxymethyl)-1H-pyrrole
CID 12632246
1-(3-fluoropropyl)-1H-pyrrole
CID 66718297
2-Fluoro-1-methylpyrrole
CID 14322399

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole?
The IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole (CID 63811434) is 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole is FC(F)(F)COCCCn1cccc1.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole?
The InChIKey is OBBAGWIPFQMPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c10-9(11,12)8-14-7-3-6-13-4-1-2-5-13/h1-2,4-5H,3,6-8H2.
What are the key properties of 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole?
1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole has a molecular weight of 207.19 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrole is sourced from PubChem (CID 63811434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).