(2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone

C15H16FNO — CID 63925434

IUPAC(2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1ccc(F)c(C(=O)c2[nH]c(C)c(C)c2C)c1
InChIInChI=1S/C15H16FNO/c1-8-5-6-13(16)12(7-8)15(18)14-10(3)9(2)11(4)17-14/h5-7,17H,1-4H3
InChIKeyOWXSGUHVABOIBL-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.62
Rot. Bonds2

About (2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone

(2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone (PubChem CID 63925434) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
PubChem CID63925434
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name(2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1ccc(F)c(C(=O)c2[nH]c(C)c(C)c2C)c1
InChIInChI=1S/C15H16FNO/c1-8-5-6-13(16)12(7-8)15(18)14-10(3)9(2)11(4)17-14/h5-7,17H,1-4H3
InChIKeyOWXSGUHVABOIBL-UHFFFAOYSA-N
XLogP3.62
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927688
(2-bromo-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 81109831
(2,4-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927682
(2-bromo-5-fluorophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927883
(2,5-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337442
(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 107475658
ethane;2-fluoro-5-methylbenzoyl chloride
CID 143991429
(2-methylsulfanylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 79215369
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
CID 62961335
(2-bromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63926863
(2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970846
(2-bromo-4-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970853

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of (2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone (CID 63925434) is (2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone is Cc1ccc(F)c(C(=O)c2[nH]c(C)c(C)c2C)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
The InChIKey is OWXSGUHVABOIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-8-5-6-13(16)12(7-8)15(18)14-10(3)9(2)11(4)17-14/h5-7,17H,1-4H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone?
(2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone has a molecular weight of 245.30 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 63925434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).