6-butyl-3-(fluoromethyl)-1H-pyridin-2-one

C10H14FNO — CID 19012326

IUPAC6-butyl-3-(fluoromethyl)-1H-pyridin-2-one
SMILESCCCCc1ccc(CF)c(=O)[nH]1
InChIInChI=1S/C10H14FNO/c1-2-3-4-9-6-5-8(7-11)10(13)12-9/h5-6H,2-4,7H2,1H3,(H,12,13)
InChIKeyOJWHJHMDPLNSEK-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.19
Rot. Bonds4

About 6-butyl-3-(fluoromethyl)-1H-pyridin-2-one

6-butyl-3-(fluoromethyl)-1H-pyridin-2-one (PubChem CID 19012326) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 6-butyl-3-(fluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butyl-3-(fluoromethyl)-1H-pyridin-2-one
PubChem CID19012326
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name6-butyl-3-(fluoromethyl)-1H-pyridin-2-one
SMILESCCCCc1ccc(CF)c(=O)[nH]1
InChIInChI=1S/C10H14FNO/c1-2-3-4-9-6-5-8(7-11)10(13)12-9/h5-6H,2-4,7H2,1H3,(H,12,13)
InChIKeyOJWHJHMDPLNSEK-UHFFFAOYSA-N
XLogP2.19
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-(fluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-butyl-3-(fluoromethyl)-1H-pyridin-2-one (CID 19012326) is 6-butyl-3-(fluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-butyl-3-(fluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-butyl-3-(fluoromethyl)-1H-pyridin-2-one is CCCCc1ccc(CF)c(=O)[nH]1.
What is the InChIKey of 6-butyl-3-(fluoromethyl)-1H-pyridin-2-one?
The InChIKey is OJWHJHMDPLNSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-2-3-4-9-6-5-8(7-11)10(13)12-9/h5-6H,2-4,7H2,1H3,(H,12,13).
What are the key properties of 6-butyl-3-(fluoromethyl)-1H-pyridin-2-one?
6-butyl-3-(fluoromethyl)-1H-pyridin-2-one has a molecular weight of 183.23 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-(fluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 19012326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).