(4-chlorophenyl)-(4-fluoro-1,3,5-trimethylpyrrol-2-yl)methanone

C14H13ClFNO — CID 67574141

IUPAC(4-chlorophenyl)-(4-fluoro-1,3,5-trimethylpyrrol-2-yl)methanone
SMILESCc1c(F)c(C)n(C)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClFNO/c1-8-12(16)9(2)17(3)13(8)14(18)10-4-6-11(15)7-5-10/h4-7H,1-3H3
InChIKeyHXQRYEPCUIHTPO-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.67
Rot. Bonds2

About (4-chlorophenyl)-(4-fluoro-1,3,5-trimethylpyrrol-2-yl)methanone

(4-chlorophenyl)-(4-fluoro-1,3,5-trimethylpyrrol-2-yl)methanone (PubChem CID 67574141) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-fluoro-1,3,5-trimethylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-fluoro-1,3,5-trimethylpyrrol-2-yl)methanone
PubChem CID67574141
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name(4-chlorophenyl)-(4-fluoro-1,3,5-trimethylpyrrol-2-yl)methanone
SMILESCc1c(F)c(C)n(C)c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClFNO/c1-8-12(16)9(2)17(3)13(8)14(18)10-4-6-11(15)7-5-10/h4-7H,1-3H3
InChIKeyHXQRYEPCUIHTPO-UHFFFAOYSA-N
XLogP3.67
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-fluoro-1,3,5-trimethylpyrrol-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(4-fluoro-1,3,5-trimethylpyrrol-2-yl)methanone (CID 67574141) is (4-chlorophenyl)-(4-fluoro-1,3,5-trimethylpyrrol-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4-fluoro-1,3,5-trimethylpyrrol-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4-fluoro-1,3,5-trimethylpyrrol-2-yl)methanone is Cc1c(F)c(C)n(C)c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-(4-fluoro-1,3,5-trimethylpyrrol-2-yl)methanone?
The InChIKey is HXQRYEPCUIHTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-8-12(16)9(2)17(3)13(8)14(18)10-4-6-11(15)7-5-10/h4-7H,1-3H3.
What are the key properties of (4-chlorophenyl)-(4-fluoro-1,3,5-trimethylpyrrol-2-yl)methanone?
(4-chlorophenyl)-(4-fluoro-1,3,5-trimethylpyrrol-2-yl)methanone has a molecular weight of 265.72 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-fluoro-1,3,5-trimethylpyrrol-2-yl)methanone is sourced from PubChem (CID 67574141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).