3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate

C11H15F2N2O4- — CID 154220517

IUPAC3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
SMILESO=C([O-])N1CCC(C(=O)N2CC(F)(F)C[C@@H]2CO)C1
InChIInChI=1S/C11H16F2N2O4/c12-11(13)3-8(5-16)15(6-11)9(17)7-1-2-14(4-7)10(18)19/h7-8,16H,1-6H2,(H,18,19)/p-1/t7?,8-/m1/s1
InChIKeyDVEUHQFZTCDCGN-BRFYHDHCSA-M
MW277.25 g/mol
LogP-1.12
Rot. Bonds2

About 3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate

3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate (PubChem CID 154220517) has the molecular formula C11H15F2N2O4- and a molecular weight of 277.25 g/mol. Its IUPAC name is 3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
PubChem CID154220517
Molecular FormulaC11H15F2N2O4-
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
SMILESO=C([O-])N1CCC(C(=O)N2CC(F)(F)C[C@@H]2CO)C1
InChIInChI=1S/C11H16F2N2O4/c12-11(13)3-8(5-16)15(6-11)9(17)7-1-2-14(4-7)10(18)19/h7-8,16H,1-6H2,(H,18,19)/p-1/t7?,8-/m1/s1
InChIKeyDVEUHQFZTCDCGN-BRFYHDHCSA-M
XLogP-1.12
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 147076228
[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129499909
[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 121204077
1-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 58790405
4-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 129498929
3-chloro-1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 129496381
2-(cyanomethyl)-4,4-difluoropyrrolidine-1-carboxylate
CID 154395254
benzyl (2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 167742193
4-(hydroxymethyl)piperidine-1-carboxylate
CID 18454833
1-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 61409138
(4,4-difluoro-1-methylpyrrolidin-2-yl)methanol;tungsten
CID 170766869
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate?
The IUPAC name of 3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate (CID 154220517) is 3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for 3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate?
The canonical SMILES for 3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate is O=C([O-])N1CCC(C(=O)N2CC(F)(F)C[C@@H]2CO)C1.
What is the InChIKey of 3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate?
The InChIKey is DVEUHQFZTCDCGN-BRFYHDHCSA-M. The full InChI is InChI=1S/C11H16F2N2O4/c12-11(13)3-8(5-16)15(6-11)9(17)7-1-2-14(4-7)10(18)19/h7-8,16H,1-6H2,(H,18,19)/p-1/t7?,8-/m1/s1.
What are the key properties of 3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate?
3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate has a molecular weight of 277.25 g/mol, XLogP of -1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 154220517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).