5,5,5-trifluoro-1-(3-methylpyrrolidin-3-yl)pentan-1-one

C10H16F3NO — CID 116570055

IUPAC5,5,5-trifluoro-1-(3-methylpyrrolidin-3-yl)pentan-1-one
SMILESCC1(C(=O)CCCC(F)(F)F)CCNC1
InChIInChI=1S/C10H16F3NO/c1-9(5-6-14-7-9)8(15)3-2-4-10(11,12)13/h14H,2-7H2,1H3
InChIKeyJGJKACGJXIDGQR-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.29
Rot. Bonds4

About 5,5,5-trifluoro-1-(3-methylpyrrolidin-3-yl)pentan-1-one

5,5,5-trifluoro-1-(3-methylpyrrolidin-3-yl)pentan-1-one (PubChem CID 116570055) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(3-methylpyrrolidin-3-yl)pentan-1-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(3-methylpyrrolidin-3-yl)pentan-1-one
PubChem CID116570055
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name5,5,5-trifluoro-1-(3-methylpyrrolidin-3-yl)pentan-1-one
SMILESCC1(C(=O)CCCC(F)(F)F)CCNC1
InChIInChI=1S/C10H16F3NO/c1-9(5-6-14-7-9)8(15)3-2-4-10(11,12)13/h14H,2-7H2,1H3
InChIKeyJGJKACGJXIDGQR-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(3-methylpyrrolidin-3-yl)pentan-1-one?
The IUPAC name of 5,5,5-trifluoro-1-(3-methylpyrrolidin-3-yl)pentan-1-one (CID 116570055) is 5,5,5-trifluoro-1-(3-methylpyrrolidin-3-yl)pentan-1-one.
What is the SMILES notation for 5,5,5-trifluoro-1-(3-methylpyrrolidin-3-yl)pentan-1-one?
The canonical SMILES for 5,5,5-trifluoro-1-(3-methylpyrrolidin-3-yl)pentan-1-one is CC1(C(=O)CCCC(F)(F)F)CCNC1.
What is the InChIKey of 5,5,5-trifluoro-1-(3-methylpyrrolidin-3-yl)pentan-1-one?
The InChIKey is JGJKACGJXIDGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-9(5-6-14-7-9)8(15)3-2-4-10(11,12)13/h14H,2-7H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(3-methylpyrrolidin-3-yl)pentan-1-one?
5,5,5-trifluoro-1-(3-methylpyrrolidin-3-yl)pentan-1-one has a molecular weight of 223.24 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(3-methylpyrrolidin-3-yl)pentan-1-one is sourced from PubChem (CID 116570055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).