(4-fluorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone

C16H14FNOS — CID 15591634

IUPAC(4-fluorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone
SMILESCCCc1csc2[nH]cc(C(=O)c3ccc(F)cc3)c12
InChIInChI=1S/C16H14FNOS/c1-2-3-11-9-20-16-14(11)13(8-18-16)15(19)10-4-6-12(17)7-5-10/h4-9,18H,2-3H2,1H3
InChIKeySSPUGPSNTFKJQU-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.55
Rot. Bonds4

About (4-fluorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone

(4-fluorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone (PubChem CID 15591634) has the molecular formula C16H14FNOS and a molecular weight of 287.36 g/mol. Its IUPAC name is (4-fluorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone
PubChem CID15591634
Molecular FormulaC16H14FNOS
Molecular Weight287.36 g/mol
Exact Mass287.08
IUPAC Name(4-fluorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone
SMILESCCCc1csc2[nH]cc(C(=O)c3ccc(F)cc3)c12
InChIInChI=1S/C16H14FNOS/c1-2-3-11-9-20-16-14(11)13(8-18-16)15(19)10-4-6-12(17)7-5-10/h4-9,18H,2-3H2,1H3
InChIKeySSPUGPSNTFKJQU-UHFFFAOYSA-N
XLogP4.55
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone (CID 15591634) is (4-fluorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone is CCCc1csc2[nH]cc(C(=O)c3ccc(F)cc3)c12.
What is the InChIKey of (4-fluorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone?
The InChIKey is SSPUGPSNTFKJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNOS/c1-2-3-11-9-20-16-14(11)13(8-18-16)15(19)10-4-6-12(17)7-5-10/h4-9,18H,2-3H2,1H3.
What are the key properties of (4-fluorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone?
(4-fluorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone has a molecular weight of 287.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(3-propyl-6H-thieno[2,3-b]pyrrol-4-yl)methanone is sourced from PubChem (CID 15591634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).