6,6,6-trifluoro-3-pyrrolidin-1-ylhexan-2-one

C10H16F3NO — CID 70811159

IUPAC6,6,6-trifluoro-3-pyrrolidin-1-ylhexan-2-one
SMILESCC(=O)C(CCC(F)(F)F)N1CCCC1
InChIInChI=1S/C10H16F3NO/c1-8(15)9(4-5-10(11,12)13)14-6-2-3-7-14/h9H,2-7H2,1H3
InChIKeyUWHZXLFMPHAZIC-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.38
Rot. Bonds4

About 6,6,6-trifluoro-3-pyrrolidin-1-ylhexan-2-one

6,6,6-trifluoro-3-pyrrolidin-1-ylhexan-2-one (PubChem CID 70811159) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 6,6,6-trifluoro-3-pyrrolidin-1-ylhexan-2-one.

Molecular Properties

Compound Name6,6,6-trifluoro-3-pyrrolidin-1-ylhexan-2-one
PubChem CID70811159
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name6,6,6-trifluoro-3-pyrrolidin-1-ylhexan-2-one
SMILESCC(=O)C(CCC(F)(F)F)N1CCCC1
InChIInChI=1S/C10H16F3NO/c1-8(15)9(4-5-10(11,12)13)14-6-2-3-7-14/h9H,2-7H2,1H3
InChIKeyUWHZXLFMPHAZIC-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-3-pyrrolidin-1-ylhexan-2-one?
The IUPAC name of 6,6,6-trifluoro-3-pyrrolidin-1-ylhexan-2-one (CID 70811159) is 6,6,6-trifluoro-3-pyrrolidin-1-ylhexan-2-one.
What is the SMILES notation for 6,6,6-trifluoro-3-pyrrolidin-1-ylhexan-2-one?
The canonical SMILES for 6,6,6-trifluoro-3-pyrrolidin-1-ylhexan-2-one is CC(=O)C(CCC(F)(F)F)N1CCCC1.
What is the InChIKey of 6,6,6-trifluoro-3-pyrrolidin-1-ylhexan-2-one?
The InChIKey is UWHZXLFMPHAZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-8(15)9(4-5-10(11,12)13)14-6-2-3-7-14/h9H,2-7H2,1H3.
What are the key properties of 6,6,6-trifluoro-3-pyrrolidin-1-ylhexan-2-one?
6,6,6-trifluoro-3-pyrrolidin-1-ylhexan-2-one has a molecular weight of 223.24 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-3-pyrrolidin-1-ylhexan-2-one is sourced from PubChem (CID 70811159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).