1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole

C14H16FNO — CID 82082756

IUPAC1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1CCOc1ccc(F)cc1
InChIInChI=1S/C14H16FNO/c1-11-3-4-12(2)16(11)9-10-17-14-7-5-13(15)6-8-14/h3-8H,9-10H2,1-2H3
InChIKeyCMEXNKQFTPEQNM-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.32
Rot. Bonds4

About 1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole

1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole (PubChem CID 82082756) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole
PubChem CID82082756
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1CCOc1ccc(F)cc1
InChIInChI=1S/C14H16FNO/c1-11-3-4-12(2)16(11)9-10-17-14-7-5-13(15)6-8-14/h3-8H,9-10H2,1-2H3
InChIKeyCMEXNKQFTPEQNM-UHFFFAOYSA-N
XLogP3.32
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole
CID 82085214
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethoxy]phenyl]-2-methylpropanoic acid
CID 23591487
1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione
CID 82116529
(2S)-3-[4-[2-(2,5-dimethylpyrrol-1-yl)ethoxy]phenyl]-2-methylpropanoate
CID 58582764
(3aR,7aR)-2-[2-(4-fluorophenoxy)ethyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 124542832
(2R,6R)-4-[2-(4-fluorophenoxy)ethyl]-2,6-dimethylmorpholine
CID 888238
1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene
CID 59416560
1-[4-(4-fluorophenoxy)butyl]-5-methylpyrazol-3-amine
CID 50999579
1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one
CID 2525579
1-[2-(4-bromophenoxy)ethyl]-6-methylpyridin-2-one
CID 54970701
2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 2230352

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole (CID 82082756) is 1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole is Cc1ccc(C)n1CCOc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole?
The InChIKey is CMEXNKQFTPEQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-11-3-4-12(2)16(11)9-10-17-14-7-5-13(15)6-8-14/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole?
1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole has a molecular weight of 233.29 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]-2,5-dimethylpyrrole is sourced from PubChem (CID 82082756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).