1-(3-ethyl-2-pyridinyl)-5,5,5-trifluoropentan-1-one

C12H14F3NO — CID 82729556

IUPAC1-(3-ethyl-2-pyridinyl)-5,5,5-trifluoropentan-1-one
SMILESCCc1cccnc1C(=O)CCCC(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-2-9-5-4-8-16-11(9)10(17)6-3-7-12(13,14)15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyOLVBHNJETUXMQD-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.56
Rot. Bonds5

About 1-(3-ethyl-2-pyridinyl)-5,5,5-trifluoropentan-1-one

1-(3-ethyl-2-pyridinyl)-5,5,5-trifluoropentan-1-one (PubChem CID 82729556) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-5,5,5-trifluoropentan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-5,5,5-trifluoropentan-1-one
PubChem CID82729556
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name1-(3-ethyl-2-pyridinyl)-5,5,5-trifluoropentan-1-one
SMILESCCc1cccnc1C(=O)CCCC(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-2-9-5-4-8-16-11(9)10(17)6-3-7-12(13,14)15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyOLVBHNJETUXMQD-UHFFFAOYSA-N
XLogP3.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethyl-2-pyridinyl)-4,4-dimethylpentan-1-one
CID 82730843
1-(3-ethyl-2-pyridinyl)octan-1-one
CID 82730570
1-(3-chloro-2-pyridinyl)-4,4,4-trifluorobutan-1-one
CID 103443231
ethyl 4-(3-ethyl-2-pyridinyl)-4-oxobutanoate
CID 82741416
2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone
CID 82729797
1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one
CID 82730826
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 112653415
1-(3-hydroxy-2-pyridinyl)nonan-1-one
CID 137395419
2-ethyl-3-(2,2,2-trifluoroethyl)pyridine
CID 177328256
2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one
CID 82730694
(3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
CID 82730577

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-5,5,5-trifluoropentan-1-one?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-5,5,5-trifluoropentan-1-one (CID 82729556) is 1-(3-ethyl-2-pyridinyl)-5,5,5-trifluoropentan-1-one.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-5,5,5-trifluoropentan-1-one?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-5,5,5-trifluoropentan-1-one is CCc1cccnc1C(=O)CCCC(F)(F)F.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-5,5,5-trifluoropentan-1-one?
The InChIKey is OLVBHNJETUXMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-2-9-5-4-8-16-11(9)10(17)6-3-7-12(13,14)15/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-5,5,5-trifluoropentan-1-one?
1-(3-ethyl-2-pyridinyl)-5,5,5-trifluoropentan-1-one has a molecular weight of 245.24 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-5,5,5-trifluoropentan-1-one is sourced from PubChem (CID 82729556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).