1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one

C14H13FOS — CID 43154054

IUPAC1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C14H13FOS/c1-9(2)14(16)13-8-7-12(17-13)10-5-3-4-6-11(10)15/h3-9H,1-2H3
InChIKeyOOJBSCSNADUKPN-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.39
Rot. Bonds3

About 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one

1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one (PubChem CID 43154054) has the molecular formula C14H13FOS and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one
PubChem CID43154054
Molecular FormulaC14H13FOS
Molecular Weight248.32 g/mol
Exact Mass248.07
IUPAC Name1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C14H13FOS/c1-9(2)14(16)13-8-7-12(17-13)10-5-3-4-6-11(10)15/h3-9H,1-2H3
InChIKeyOOJBSCSNADUKPN-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one (CID 43154054) is 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one is CC(C)C(=O)c1ccc(-c2ccccc2F)s1.
What is the InChIKey of 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is OOJBSCSNADUKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FOS/c1-9(2)14(16)13-8-7-12(17-13)10-5-3-4-6-11(10)15/h3-9H,1-2H3.
What are the key properties of 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one?
1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 248.32 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)thiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 43154054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).