7,7-dimethyl-4-(trifluoromethyl)-2H-cyclopenta[c]pyridin-1-one

C11H10F3NO — CID 166998217

IUPAC7,7-dimethyl-4-(trifluoromethyl)-2H-cyclopenta[c]pyridin-1-one
SMILESCC1(C)C=Cc2c(C(F)(F)F)c[nH]c(=O)c21
InChIInChI=1S/C11H10F3NO/c1-10(2)4-3-6-7(11(12,13)14)5-15-9(16)8(6)10/h3-5H,1-2H3,(H,15,16)
InChIKeyDQTIRUKYQGJOKC-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.70
Rot. Bonds

About 7,7-dimethyl-4-(trifluoromethyl)-2H-cyclopenta[c]pyridin-1-one

7,7-dimethyl-4-(trifluoromethyl)-2H-cyclopenta[c]pyridin-1-one (PubChem CID 166998217) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 7,7-dimethyl-4-(trifluoromethyl)-2H-cyclopenta[c]pyridin-1-one.

Molecular Properties

Compound Name7,7-dimethyl-4-(trifluoromethyl)-2H-cyclopenta[c]pyridin-1-one
PubChem CID166998217
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name7,7-dimethyl-4-(trifluoromethyl)-2H-cyclopenta[c]pyridin-1-one
SMILESCC1(C)C=Cc2c(C(F)(F)F)c[nH]c(=O)c21
InChIInChI=1S/C11H10F3NO/c1-10(2)4-3-6-7(11(12,13)14)5-15-9(16)8(6)10/h3-5H,1-2H3,(H,15,16)
InChIKeyDQTIRUKYQGJOKC-UHFFFAOYSA-N
XLogP2.70
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 68061654
3-tert-butyl-5-fluoro-1H-pyridin-2-one
CID 68910526
4-tert-butyl-3-fluoro-1H-pyridin-2-one
CID 91209522
2(1H)-Pyridinone, 3-(1-methylethyl)-5-(trifluoromethyl)-
CID 118301552
3-(1,1-difluoroethyl)-5-methyl-1H-pyridin-2-one
CID 123878957
3-ethyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 154553818
3-tert-butyl-4-fluoro-1H-pyridin-2-one
CID 164998405
4-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 166553287
4-fluoro-3-(2-methylbutan-2-yl)-1H-pyridin-2-one
CID 167076493
3-(1,1-difluoro-2-methylpropan-2-yl)-1H-pyridin-2-one
CID 167460173
3-[(2S)-1,1-difluoropropan-2-yl]-5-fluoro-1H-pyridin-2-one
CID 168935765
4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-7,7-dimethyl-2H-cyclopenta[c]pyridin-1-one
CID 169969100

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-4-(trifluoromethyl)-2H-cyclopenta[c]pyridin-1-one?
The IUPAC name of 7,7-dimethyl-4-(trifluoromethyl)-2H-cyclopenta[c]pyridin-1-one (CID 166998217) is 7,7-dimethyl-4-(trifluoromethyl)-2H-cyclopenta[c]pyridin-1-one.
What is the SMILES notation for 7,7-dimethyl-4-(trifluoromethyl)-2H-cyclopenta[c]pyridin-1-one?
The canonical SMILES for 7,7-dimethyl-4-(trifluoromethyl)-2H-cyclopenta[c]pyridin-1-one is CC1(C)C=Cc2c(C(F)(F)F)c[nH]c(=O)c21.
What is the InChIKey of 7,7-dimethyl-4-(trifluoromethyl)-2H-cyclopenta[c]pyridin-1-one?
The InChIKey is DQTIRUKYQGJOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-10(2)4-3-6-7(11(12,13)14)5-15-9(16)8(6)10/h3-5H,1-2H3,(H,15,16).
What are the key properties of 7,7-dimethyl-4-(trifluoromethyl)-2H-cyclopenta[c]pyridin-1-one?
7,7-dimethyl-4-(trifluoromethyl)-2H-cyclopenta[c]pyridin-1-one has a molecular weight of 229.20 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-4-(trifluoromethyl)-2H-cyclopenta[c]pyridin-1-one is sourced from PubChem (CID 166998217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).