3,3,3-trifluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one

C10H16F3NO2 — CID 62468242

IUPAC3,3,3-trifluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCCC1CCCO
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7-9(16)14-5-1-3-8(14)4-2-6-15/h8,15H,1-7H2
InChIKeyAKLKXJSFAFRLGR-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.70
Rot. Bonds4

About 3,3,3-trifluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one

3,3,3-trifluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 62468242) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
PubChem CID62468242
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name3,3,3-trifluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCCC1CCCO
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7-9(16)14-5-1-3-8(14)4-2-6-15/h8,15H,1-7H2
InChIKeyAKLKXJSFAFRLGR-UHFFFAOYSA-N
XLogP1.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one (CID 62468242) is 3,3,3-trifluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one is O=C(CC(F)(F)F)N1CCCC1CCCO.
What is the InChIKey of 3,3,3-trifluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is AKLKXJSFAFRLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)7-9(16)14-5-1-3-8(14)4-2-6-15/h8,15H,1-7H2.
What are the key properties of 3,3,3-trifluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 239.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 62468242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).