4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

C9H8F3NO — CID 46942366

IUPAC4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c2c([nH]1)CCC2
InChIInChI=1S/C9H8F3NO/c10-9(11,12)6-4-8(14)13-7-3-1-2-5(6)7/h4H,1-3H2,(H,13,14)
InChIKeyGSJGKNLMGQIWJH-UHFFFAOYSA-N
MW203.16 g/mol
LogP1.88
Rot. Bonds

About 4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (PubChem CID 46942366) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
PubChem CID46942366
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c2c([nH]1)CCC2
InChIInChI=1S/C9H8F3NO/c10-9(11,12)6-4-8(14)13-7-3-1-2-5(6)7/h4H,1-3H2,(H,13,14)
InChIKeyGSJGKNLMGQIWJH-UHFFFAOYSA-N
XLogP1.88
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The IUPAC name of 4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (CID 46942366) is 4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for 4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for 4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is O=c1cc(C(F)(F)F)c2c([nH]1)CCC2.
What is the InChIKey of 4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The InChIKey is GSJGKNLMGQIWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c10-9(11,12)6-4-8(14)13-7-3-1-2-5(6)7/h4H,1-3H2,(H,13,14).
What are the key properties of 4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one has a molecular weight of 203.16 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 46942366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).