[(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate

C7H8F5NO2 — CID 146310866

IUPAC[(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate
SMILESO=C(OC[C@H]1CC(F)(F)CN1)C(F)(F)F
InChIInChI=1S/C7H8F5NO2/c8-6(9)1-4(13-3-6)2-15-5(14)7(10,11)12/h4,13H,1-3H2/t4-/m1/s1
InChIKeyKUVZEWJNLBBXIO-SCSAIBSYSA-N
MW233.14 g/mol
LogP1.09
Rot. Bonds2

About [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate

[(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate (PubChem CID 146310866) has the molecular formula C7H8F5NO2 and a molecular weight of 233.14 g/mol. Its IUPAC name is [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate
PubChem CID146310866
Molecular FormulaC7H8F5NO2
Molecular Weight233.14 g/mol
Exact Mass233.05
IUPAC Name[(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate
SMILESO=C(OC[C@H]1CC(F)(F)CN1)C(F)(F)F
InChIInChI=1S/C7H8F5NO2/c8-6(9)1-4(13-3-6)2-15-5(14)7(10,11)12/h4,13H,1-3H2/t4-/m1/s1
InChIKeyKUVZEWJNLBBXIO-SCSAIBSYSA-N
XLogP1.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate?
The IUPAC name of [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate (CID 146310866) is [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate?
The canonical SMILES for [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate is O=C(OC[C@H]1CC(F)(F)CN1)C(F)(F)F.
What is the InChIKey of [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate?
The InChIKey is KUVZEWJNLBBXIO-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H8F5NO2/c8-6(9)1-4(13-3-6)2-15-5(14)7(10,11)12/h4,13H,1-3H2/t4-/m1/s1.
What are the key properties of [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate?
[(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate has a molecular weight of 233.14 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4,4-difluoropyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 146310866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).