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

C10H16F3NO — CID 116560929

IUPAC6,6,6-trifluoro-1-pyrrolidin-2-ylhexan-2-one
SMILESO=C(CCCC(F)(F)F)CC1CCCN1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)5-1-4-9(15)7-8-3-2-6-14-8/h8,14H,1-7H2
InChIKeyFAPVFNVITYIFNH-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.43
Rot. Bonds5

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

6,6,6-trifluoro-1-pyrrolidin-2-ylhexan-2-one (PubChem CID 116560929) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-pyrrolidin-2-ylhexan-2-one.

Molecular Properties

Compound Name6,6,6-trifluoro-1-pyrrolidin-2-ylhexan-2-one
PubChem CID116560929
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name6,6,6-trifluoro-1-pyrrolidin-2-ylhexan-2-one
SMILESO=C(CCCC(F)(F)F)CC1CCCN1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)5-1-4-9(15)7-8-3-2-6-14-8/h8,14H,1-7H2
InChIKeyFAPVFNVITYIFNH-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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6,6,6-trifluoro-1-piperidin-4-ylhexan-2-one
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1-amino-3-[(2R)-pyrrolidin-2-yl]propan-2-one
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2-(4,4,4-trifluorobutoxymethyl)pyrrolidine
CID 115514545
(2R)-2-(4,4,4-trifluorobutoxymethyl)pyrrolidine
CID 102820223
1-cyclohexyl-17,17,17-trifluoroheptadecan-2-one
CID 70050399
2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride
CID 105451153
4-phenyl-1-[(2S)-pyrrolidin-2-yl]butan-2-one
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1-pyrrolidin-2-ylpropan-2-one
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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-pyrrolidin-2-ylhexan-2-one?
The IUPAC name of 6,6,6-trifluoro-1-pyrrolidin-2-ylhexan-2-one (CID 116560929) is 6,6,6-trifluoro-1-pyrrolidin-2-ylhexan-2-one.
What is the SMILES notation for 6,6,6-trifluoro-1-pyrrolidin-2-ylhexan-2-one?
The canonical SMILES for 6,6,6-trifluoro-1-pyrrolidin-2-ylhexan-2-one is O=C(CCCC(F)(F)F)CC1CCCN1.
What is the InChIKey of 6,6,6-trifluoro-1-pyrrolidin-2-ylhexan-2-one?
The InChIKey is FAPVFNVITYIFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)5-1-4-9(15)7-8-3-2-6-14-8/h8,14H,1-7H2.
What are the key properties of 6,6,6-trifluoro-1-pyrrolidin-2-ylhexan-2-one?
6,6,6-trifluoro-1-pyrrolidin-2-ylhexan-2-one has a molecular weight of 223.24 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-pyrrolidin-2-ylhexan-2-one is sourced from PubChem (CID 116560929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).