2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

C17H15F3N2O — CID 171371938

IUPAC2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESCOc1cc(C(F)(F)F)ccc1C(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C17H15F3N2O/c1-23-15-10-11(17(18,19)20)6-7-12(15)16(13-4-2-8-21-13)14-5-3-9-22-14/h2-10,16,21-22H,1H3
InChIKeyHORKGUXVUBQDSU-UHFFFAOYSA-N
MW320.31 g/mol
LogP4.55
Rot. Bonds4

About 2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (PubChem CID 171371938) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
PubChem CID171371938
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESCOc1cc(C(F)(F)F)ccc1C(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C17H15F3N2O/c1-23-15-10-11(17(18,19)20)6-7-12(15)16(13-4-2-8-21-13)14-5-3-9-22-14/h2-10,16,21-22H,1H3
InChIKeyHORKGUXVUBQDSU-UHFFFAOYSA-N
XLogP4.55
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-fluoro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371822
1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 167530944
2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
CID 46311740
2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 155973060
1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 167530945
(R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride
CID 171314755
(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]butan-1-amine
CID 96710105
(1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271952
1-[(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171296986
1-[2-methoxy-4-(trifluoromethyl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170820747
(4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol
CID 115369760
1-[(R)-cyclopropyl-[2-methoxy-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171296994

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (CID 171371938) is 2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is COc1cc(C(F)(F)F)ccc1C(c1ccc[nH]1)c1ccc[nH]1.
What is the InChIKey of 2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The InChIKey is HORKGUXVUBQDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c1-23-15-10-11(17(18,19)20)6-7-12(15)16(13-4-2-8-21-13)14-5-3-9-22-14/h2-10,16,21-22H,1H3.
What are the key properties of 2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole has a molecular weight of 320.31 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 171371938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).