1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one

C9H14F3NO3 — CID 66261383

IUPAC1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)(F)F)N1CC[C@@H](O)C1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)6-16-4-2-8(15)13-3-1-7(14)5-13/h7,14H,1-6H2/t7-/m1/s1
InChIKeyVKUQLOMEICJIKN-SSDOTTSWSA-N
MW241.21 g/mol
LogP0.55
Rot. Bonds4

About 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one

1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 66261383) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID66261383
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)(F)F)N1CC[C@@H](O)C1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)6-16-4-2-8(15)13-3-1-7(14)5-13/h7,14H,1-6H2/t7-/m1/s1
InChIKeyVKUQLOMEICJIKN-SSDOTTSWSA-N
XLogP0.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one (CID 66261383) is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one is O=C(CCOCC(F)(F)F)N1CC[C@@H](O)C1.
What is the InChIKey of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is VKUQLOMEICJIKN-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)6-16-4-2-8(15)13-3-1-7(14)5-13/h7,14H,1-6H2/t7-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one?
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 241.21 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 66261383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).