1-ethyl-4-fluoro-3-propan-2-ylpyridin-2-one

C10H14FNO — CID 178099322

IUPAC1-ethyl-4-fluoro-3-propan-2-ylpyridin-2-one
SMILESCCn1ccc(F)c(C(C)C)c1=O
InChIInChI=1S/C10H14FNO/c1-4-12-6-5-8(11)9(7(2)3)10(12)13/h5-7H,4H2,1-3H3
InChIKeyMWUHSYNAMKINKF-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.13
Rot. Bonds2

About 1-ethyl-4-fluoro-3-propan-2-ylpyridin-2-one

1-ethyl-4-fluoro-3-propan-2-ylpyridin-2-one (PubChem CID 178099322) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-ethyl-4-fluoro-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-fluoro-3-propan-2-ylpyridin-2-one
PubChem CID178099322
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name1-ethyl-4-fluoro-3-propan-2-ylpyridin-2-one
SMILESCCn1ccc(F)c(C(C)C)c1=O
InChIInChI=1S/C10H14FNO/c1-4-12-6-5-8(11)9(7(2)3)10(12)13/h5-7H,4H2,1-3H3
InChIKeyMWUHSYNAMKINKF-UHFFFAOYSA-N
XLogP2.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Methylidenebutyl)-5-(trifluoromethyl)pyridin-2-one
CID 57985838
5-Propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one
CID 58592703
1-(2-Methylpropyl)-4-(trifluoromethyl)pyridin-2-one
CID 59447799
1-(2-Methylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 67473511
1,6-Dimethyl-3-propan-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 89458525
5-Fluoro-1,3-di(propan-2-yl)pyridin-2-one
CID 89728117
5-Methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one
CID 90064732
1-Methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301544
1-Ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301545
3-(1,1-Difluoroethyl)-1-methylpyridin-2-one
CID 118857990
4-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 126548286
5-Fluoro-1-methyl-3-propan-2-ylpyridin-2-one
CID 129075338

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoro-3-propan-2-ylpyridin-2-one?
The IUPAC name of 1-ethyl-4-fluoro-3-propan-2-ylpyridin-2-one (CID 178099322) is 1-ethyl-4-fluoro-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-ethyl-4-fluoro-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-ethyl-4-fluoro-3-propan-2-ylpyridin-2-one is CCn1ccc(F)c(C(C)C)c1=O.
What is the InChIKey of 1-ethyl-4-fluoro-3-propan-2-ylpyridin-2-one?
The InChIKey is MWUHSYNAMKINKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-4-12-6-5-8(11)9(7(2)3)10(12)13/h5-7H,4H2,1-3H3.
What are the key properties of 1-ethyl-4-fluoro-3-propan-2-ylpyridin-2-one?
1-ethyl-4-fluoro-3-propan-2-ylpyridin-2-one has a molecular weight of 183.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoro-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 178099322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).