bis[(3R,5S)-5-(difluoromethoxymethyl)pyrrolidin-3-yl] carbonate

C13H20F4N2O5 — CID 175141092

IUPACbis[(3R,5S)-5-(difluoromethoxymethyl)pyrrolidin-3-yl] carbonate
SMILESO=C(O[C@H]1CN[C@H](COC(F)F)C1)O[C@H]1CN[C@H](COC(F)F)C1
InChIInChI=1S/C13H20F4N2O5/c14-11(15)21-5-7-1-9(3-18-7)23-13(20)24-10-2-8(19-4-10)6-22-12(16)17/h7-12,18-19H,1-6H2/t7-,8-,9+,10+/m0/s1
InChIKeyNYFTYILCPXDDSR-AXTSPUMRSA-N
MW360.30 g/mol
LogP1.08
Rot. Bonds8

About bis[(3R,5S)-5-(difluoromethoxymethyl)pyrrolidin-3-yl] carbonate

bis[(3R,5S)-5-(difluoromethoxymethyl)pyrrolidin-3-yl] carbonate (PubChem CID 175141092) has the molecular formula C13H20F4N2O5 and a molecular weight of 360.30 g/mol. Its IUPAC name is bis[(3R,5S)-5-(difluoromethoxymethyl)pyrrolidin-3-yl] carbonate.

Molecular Properties

Compound Namebis[(3R,5S)-5-(difluoromethoxymethyl)pyrrolidin-3-yl] carbonate
PubChem CID175141092
Molecular FormulaC13H20F4N2O5
Molecular Weight360.30 g/mol
Exact Mass360.13
IUPAC Namebis[(3R,5S)-5-(difluoromethoxymethyl)pyrrolidin-3-yl] carbonate
SMILESO=C(O[C@H]1CN[C@H](COC(F)F)C1)O[C@H]1CN[C@H](COC(F)F)C1
InChIInChI=1S/C13H20F4N2O5/c14-11(15)21-5-7-1-9(3-18-7)23-13(20)24-10-2-8(19-4-10)6-22-12(16)17/h7-12,18-19H,1-6H2/t7-,8-,9+,10+/m0/s1
InChIKeyNYFTYILCPXDDSR-AXTSPUMRSA-N
XLogP1.08
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)phenoxy]pyrrolidine
CID 156773922
[(2R,4R)-4-(difluoromethoxy)pyrrolidin-2-yl]methanol
CID 122554867
methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-2-carboxylate
CID 130415000
2-amino-N-[[(4R)-4-hydroxypyrrolidin-2-yl]methoxy]acetamide
CID 145222763
methyl 4-[[(4S)-4-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
CID 142151920
4-[[(2S,4S)-4-acetyloxypyrrolidin-2-yl]methoxy]benzoate
CID 86592797
[(2R,5S)-5-(difluoromethoxy)piperidin-2-yl]methanamine
CID 97300367
(4R)-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 169009465
ethyl 3-(difluoromethoxymethyl)cyclobutane-1-carboxylate
CID 118062237
4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 122236424
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 119057051
methyl 4-propanoyloxypyrrolidine-2-carboxylate;hydrochloride
CID 53410499

Frequently Asked Questions

What is the IUPAC name of bis[(3R,5S)-5-(difluoromethoxymethyl)pyrrolidin-3-yl] carbonate?
The IUPAC name of bis[(3R,5S)-5-(difluoromethoxymethyl)pyrrolidin-3-yl] carbonate (CID 175141092) is bis[(3R,5S)-5-(difluoromethoxymethyl)pyrrolidin-3-yl] carbonate.
What is the SMILES notation for bis[(3R,5S)-5-(difluoromethoxymethyl)pyrrolidin-3-yl] carbonate?
The canonical SMILES for bis[(3R,5S)-5-(difluoromethoxymethyl)pyrrolidin-3-yl] carbonate is O=C(O[C@H]1CN[C@H](COC(F)F)C1)O[C@H]1CN[C@H](COC(F)F)C1.
What is the InChIKey of bis[(3R,5S)-5-(difluoromethoxymethyl)pyrrolidin-3-yl] carbonate?
The InChIKey is NYFTYILCPXDDSR-AXTSPUMRSA-N. The full InChI is InChI=1S/C13H20F4N2O5/c14-11(15)21-5-7-1-9(3-18-7)23-13(20)24-10-2-8(19-4-10)6-22-12(16)17/h7-12,18-19H,1-6H2/t7-,8-,9+,10+/m0/s1.
What are the key properties of bis[(3R,5S)-5-(difluoromethoxymethyl)pyrrolidin-3-yl] carbonate?
bis[(3R,5S)-5-(difluoromethoxymethyl)pyrrolidin-3-yl] carbonate has a molecular weight of 360.30 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(3R,5S)-5-(difluoromethoxymethyl)pyrrolidin-3-yl] carbonate is sourced from PubChem (CID 175141092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).