tert-butyl (3R)-3-(difluoromethoxymethyl)pyrrolidine-1-carboxylate

C11H19F2NO3 — CID 122487536

IUPACtert-butyl (3R)-3-(difluoromethoxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](COC(F)F)C1
InChIInChI=1S/C11H19F2NO3/c1-11(2,3)17-10(15)14-5-4-8(6-14)7-16-9(12)13/h8-9H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyDZYUMVRVTWXDIA-MRVPVSSYSA-N
MW251.27 g/mol
LogP2.48
Rot. Bonds3

About tert-butyl (3R)-3-(difluoromethoxymethyl)pyrrolidine-1-carboxylate

tert-butyl (3R)-3-(difluoromethoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 122487536) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is tert-butyl (3R)-3-(difluoromethoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(difluoromethoxymethyl)pyrrolidine-1-carboxylate
PubChem CID122487536
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Nametert-butyl (3R)-3-(difluoromethoxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](COC(F)F)C1
InChIInChI=1S/C11H19F2NO3/c1-11(2,3)17-10(15)14-5-4-8(6-14)7-16-9(12)13/h8-9H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyDZYUMVRVTWXDIA-MRVPVSSYSA-N
XLogP2.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
tert-butyl 4-(1-fluoroethoxymethyl)piperidine-1-carboxylate
CID 134168095
tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
tert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid
CID 144976953
tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate
CID 167732516
tert-butyl 3-(2-hydroxyethoxymethyl)pyrrolidine-1-carboxylate
CID 66563815
tert-butyl 3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 22184663
tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 130861472
tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 22594650
tert-butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate
CID 71630011
tert-butyl 3-[(1,1-difluoropropan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 107242462
tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 24730214

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(difluoromethoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(difluoromethoxymethyl)pyrrolidine-1-carboxylate (CID 122487536) is tert-butyl (3R)-3-(difluoromethoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(difluoromethoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(difluoromethoxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](COC(F)F)C1.
What is the InChIKey of tert-butyl (3R)-3-(difluoromethoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is DZYUMVRVTWXDIA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c1-11(2,3)17-10(15)14-5-4-8(6-14)7-16-9(12)13/h8-9H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(difluoromethoxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-(difluoromethoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 251.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(difluoromethoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 122487536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).