5-(dimethylamino)-2-pyrrol-1-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol

C17H15F3N2O2 — CID 54070349

IUPAC5-(dimethylamino)-2-pyrrol-1-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol
SMILESCN(C)c1oc(-n2cccc2)c(O)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O2/c1-21(2)15-13(11-6-5-7-12(10-11)17(18,19)20)14(23)16(24-15)22-8-3-4-9-22/h3-10,23H,1-2H3
InChIKeyMFZNHXIIIXWOCJ-UHFFFAOYSA-N
MW336.31 g/mol
LogP4.53
Rot. Bonds3

About 5-(dimethylamino)-2-pyrrol-1-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol

5-(dimethylamino)-2-pyrrol-1-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol (PubChem CID 54070349) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 5-(dimethylamino)-2-pyrrol-1-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol.

Molecular Properties

Compound Name5-(dimethylamino)-2-pyrrol-1-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol
PubChem CID54070349
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name5-(dimethylamino)-2-pyrrol-1-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol
SMILESCN(C)c1oc(-n2cccc2)c(O)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N2O2/c1-21(2)15-13(11-6-5-7-12(10-11)17(18,19)20)14(23)16(24-15)22-8-3-4-9-22/h3-10,23H,1-2H3
InChIKeyMFZNHXIIIXWOCJ-UHFFFAOYSA-N
XLogP4.53
TPSA41.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline
CID 118830034
5-amino-2-propan-2-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol
CID 54210740
3,4-bis(4-tert-butylphenyl)-2,5-bis[3-(trifluoromethyl)phenyl]furan
CID 50993914
1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
4-hydroxy-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 131743309
1,2,3,4,5-pentachloro-6-[3-(trifluoromethyl)phenyl]benzene
CID 134617383
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091916
2-butyl-5-(methylamino)-4-[3-(trifluoromethyl)phenyl]thiophen-3-ol
CID 54282882
1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 119010297
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-pyrrol-1-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol?
The IUPAC name of 5-(dimethylamino)-2-pyrrol-1-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol (CID 54070349) is 5-(dimethylamino)-2-pyrrol-1-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol.
What is the SMILES notation for 5-(dimethylamino)-2-pyrrol-1-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol?
The canonical SMILES for 5-(dimethylamino)-2-pyrrol-1-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol is CN(C)c1oc(-n2cccc2)c(O)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(dimethylamino)-2-pyrrol-1-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol?
The InChIKey is MFZNHXIIIXWOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-21(2)15-13(11-6-5-7-12(10-11)17(18,19)20)14(23)16(24-15)22-8-3-4-9-22/h3-10,23H,1-2H3.
What are the key properties of 5-(dimethylamino)-2-pyrrol-1-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol?
5-(dimethylamino)-2-pyrrol-1-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol has a molecular weight of 336.31 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-pyrrol-1-yl-4-[3-(trifluoromethyl)phenyl]furan-3-ol is sourced from PubChem (CID 54070349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).