2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone

C16H16F3NO — CID 63927685

IUPAC2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone
SMILESCc1[nH]c(C(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1C
InChIInChI=1S/C16H16F3NO/c1-9-10(2)15(20-11(9)3)14(21)8-12-4-6-13(7-5-12)16(17,18)19/h4-7,20H,8H2,1-3H3
InChIKeyOPJVPOLVZRRRMT-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.38
Rot. Bonds3

About 2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone

2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone (PubChem CID 63927685) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone
PubChem CID63927685
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone
SMILESCc1[nH]c(C(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1C
InChIInChI=1S/C16H16F3NO/c1-9-10(2)15(20-11(9)3)14(21)8-12-4-6-13(7-5-12)16(17,18)19/h4-7,20H,8H2,1-3H3
InChIKeyOPJVPOLVZRRRMT-UHFFFAOYSA-N
XLogP4.38
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 63527519
1-(5-bromo-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 65306863
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 21016485
1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 114971487
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116548236
1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116550965
2-[2-[4-(trifluoromethyl)phenyl]acetyl]benzoic acid
CID 159416871
1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 63909222
1-methylsulfanyl-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 62692540
(E)-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-one
CID 103453232
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone (CID 63927685) is 2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone is Cc1[nH]c(C(=O)Cc2ccc(C(F)(F)F)cc2)c(C)c1C.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone?
The InChIKey is OPJVPOLVZRRRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-9-10(2)15(20-11(9)3)14(21)8-12-4-6-13(7-5-12)16(17,18)19/h4-7,20H,8H2,1-3H3.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone?
2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone has a molecular weight of 295.30 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 63927685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).