[4-(trifluoromethyl)phenyl]-[4-[(2,3,5-trimethylpyrrol-1-yl)methyl]phenyl]methanone

C22H20F3NO — CID 57236919

IUPAC[4-(trifluoromethyl)phenyl]-[4-[(2,3,5-trimethylpyrrol-1-yl)methyl]phenyl]methanone
SMILESCc1cc(C)n(Cc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)cc2)c1C
InChIInChI=1S/C22H20F3NO/c1-14-12-15(2)26(16(14)3)13-17-4-6-18(7-5-17)21(27)19-8-10-20(11-9-19)22(23,24)25/h4-12H,13H2,1-3H3
InChIKeyTWPZQRGXYVPJSN-UHFFFAOYSA-N
MW371.40 g/mol
LogP5.71
Rot. Bonds4

About [4-(trifluoromethyl)phenyl]-[4-[(2,3,5-trimethylpyrrol-1-yl)methyl]phenyl]methanone

[4-(trifluoromethyl)phenyl]-[4-[(2,3,5-trimethylpyrrol-1-yl)methyl]phenyl]methanone (PubChem CID 57236919) has the molecular formula C22H20F3NO and a molecular weight of 371.40 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]-[4-[(2,3,5-trimethylpyrrol-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]-[4-[(2,3,5-trimethylpyrrol-1-yl)methyl]phenyl]methanone
PubChem CID57236919
Molecular FormulaC22H20F3NO
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name[4-(trifluoromethyl)phenyl]-[4-[(2,3,5-trimethylpyrrol-1-yl)methyl]phenyl]methanone
SMILESCc1cc(C)n(Cc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)cc2)c1C
InChIInChI=1S/C22H20F3NO/c1-14-12-15(2)26(16(14)3)13-17-4-6-18(7-5-17)21(27)19-8-10-20(11-9-19)22(23,24)25/h4-12H,13H2,1-3H3
InChIKeyTWPZQRGXYVPJSN-UHFFFAOYSA-N
XLogP5.71
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.40
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
[3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 90132438
methyl 4-benzoyl-5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxylate
CID 73294103
(3,5-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970678
(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 43337889
5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylic acid
CID 162444700
[4-[[5,6-dimethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]phenyl] propanoate
CID 91175510
5,11-bis[[4-(trifluoromethyl)phenyl]methyl]-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone
CID 87063251
1-benzyl-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 102596732
CID 161391832
CID 161391832
4-benzoyl-N-[(3-chlorophenyl)methyl]-5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 73294479
[4-(trifluoromethyl)phenyl]-(3,4,5-trifluorophenyl)methanone
CID 62789591

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]-[4-[(2,3,5-trimethylpyrrol-1-yl)methyl]phenyl]methanone?
The IUPAC name of [4-(trifluoromethyl)phenyl]-[4-[(2,3,5-trimethylpyrrol-1-yl)methyl]phenyl]methanone (CID 57236919) is [4-(trifluoromethyl)phenyl]-[4-[(2,3,5-trimethylpyrrol-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]-[4-[(2,3,5-trimethylpyrrol-1-yl)methyl]phenyl]methanone?
The canonical SMILES for [4-(trifluoromethyl)phenyl]-[4-[(2,3,5-trimethylpyrrol-1-yl)methyl]phenyl]methanone is Cc1cc(C)n(Cc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)cc2)c1C.
What is the InChIKey of [4-(trifluoromethyl)phenyl]-[4-[(2,3,5-trimethylpyrrol-1-yl)methyl]phenyl]methanone?
The InChIKey is TWPZQRGXYVPJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO/c1-14-12-15(2)26(16(14)3)13-17-4-6-18(7-5-17)21(27)19-8-10-20(11-9-19)22(23,24)25/h4-12H,13H2,1-3H3.
What are the key properties of [4-(trifluoromethyl)phenyl]-[4-[(2,3,5-trimethylpyrrol-1-yl)methyl]phenyl]methanone?
[4-(trifluoromethyl)phenyl]-[4-[(2,3,5-trimethylpyrrol-1-yl)methyl]phenyl]methanone has a molecular weight of 371.40 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]-[4-[(2,3,5-trimethylpyrrol-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 57236919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).