methyl 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclobutane-1-carboxylate

C11H17F2NO2 — CID 116991635

IUPACmethyl 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(CN2CCC(F)(F)C2)CCC1
InChIInChI=1S/C11H17F2NO2/c1-16-9(15)10(3-2-4-10)7-14-6-5-11(12,13)8-14/h2-8H2,1H3
InChIKeyDINRCKMLDJQFHY-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.67
Rot. Bonds3

About methyl 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclobutane-1-carboxylate

methyl 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclobutane-1-carboxylate (PubChem CID 116991635) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is methyl 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclobutane-1-carboxylate
PubChem CID116991635
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Namemethyl 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1(CN2CCC(F)(F)C2)CCC1
InChIInChI=1S/C11H17F2NO2/c1-16-9(15)10(3-2-4-10)7-14-6-5-11(12,13)8-14/h2-8H2,1H3
InChIKeyDINRCKMLDJQFHY-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclobutane-1-carboxylate (CID 116991635) is methyl 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclobutane-1-carboxylate is COC(=O)C1(CN2CCC(F)(F)C2)CCC1.
What is the InChIKey of methyl 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclobutane-1-carboxylate?
The InChIKey is DINRCKMLDJQFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-16-9(15)10(3-2-4-10)7-14-6-5-11(12,13)8-14/h2-8H2,1H3.
What are the key properties of methyl 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclobutane-1-carboxylate?
methyl 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclobutane-1-carboxylate has a molecular weight of 233.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 116991635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).