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

C8H8F5NO2 — CID 171798841

IUPAC[(2R)-4-(difluoromethylidene)pyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate
SMILESO=C(OC[C@H]1CC(=C(F)F)CN1)C(F)(F)F
InChIInChI=1S/C8H8F5NO2/c9-6(10)4-1-5(14-2-4)3-16-7(15)8(11,12)13/h5,14H,1-3H2/t5-/m1/s1
InChIKeyZVLGWDZEPCSYQJ-RXMQYKEDSA-N
MW245.15 g/mol
LogP1.60
Rot. Bonds2

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

[(2R)-4-(difluoromethylidene)pyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate (PubChem CID 171798841) has the molecular formula C8H8F5NO2 and a molecular weight of 245.15 g/mol. Its IUPAC name is [(2R)-4-(difluoromethylidene)pyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2R)-4-(difluoromethylidene)pyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate
PubChem CID171798841
Molecular FormulaC8H8F5NO2
Molecular Weight245.15 g/mol
Exact Mass245.05
IUPAC Name[(2R)-4-(difluoromethylidene)pyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate
SMILESO=C(OC[C@H]1CC(=C(F)F)CN1)C(F)(F)F
InChIInChI=1S/C8H8F5NO2/c9-6(10)4-1-5(14-2-4)3-16-7(15)8(11,12)13/h5,14H,1-3H2/t5-/m1/s1
InChIKeyZVLGWDZEPCSYQJ-RXMQYKEDSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(difluoromethylidene)pyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate?
The IUPAC name of [(2R)-4-(difluoromethylidene)pyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate (CID 171798841) is [(2R)-4-(difluoromethylidene)pyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2R)-4-(difluoromethylidene)pyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate?
The canonical SMILES for [(2R)-4-(difluoromethylidene)pyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate is O=C(OC[C@H]1CC(=C(F)F)CN1)C(F)(F)F.
What is the InChIKey of [(2R)-4-(difluoromethylidene)pyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate?
The InChIKey is ZVLGWDZEPCSYQJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8F5NO2/c9-6(10)4-1-5(14-2-4)3-16-7(15)8(11,12)13/h5,14H,1-3H2/t5-/m1/s1.
What are the key properties of [(2R)-4-(difluoromethylidene)pyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate?
[(2R)-4-(difluoromethylidene)pyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate has a molecular weight of 245.15 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(difluoromethylidene)pyrrolidin-2-yl]methyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 171798841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).