4,4-difluoro-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide

C11H18F2N2O2 — CID 120955375

IUPAC4,4-difluoro-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide
SMILESCC1CC(NC(=O)C2CC(F)(F)CN2)CCO1
InChIInChI=1S/C11H18F2N2O2/c1-7-4-8(2-3-17-7)15-10(16)9-5-11(12,13)6-14-9/h7-9,14H,2-6H2,1H3,(H,15,16)
InChIKeyJMFHRSLISYCQEL-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.67
Rot. Bonds2

About 4,4-difluoro-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide

4,4-difluoro-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 120955375) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is 4,4-difluoro-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID120955375
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name4,4-difluoro-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide
SMILESCC1CC(NC(=O)C2CC(F)(F)CN2)CCO1
InChIInChI=1S/C11H18F2N2O2/c1-7-4-8(2-3-17-7)15-10(16)9-5-11(12,13)6-14-9/h7-9,14H,2-6H2,1H3,(H,15,16)
InChIKeyJMFHRSLISYCQEL-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4,4-difluoro-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide (CID 120955375) is 4,4-difluoro-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide is CC1CC(NC(=O)C2CC(F)(F)CN2)CCO1.
What is the InChIKey of 4,4-difluoro-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is JMFHRSLISYCQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c1-7-4-8(2-3-17-7)15-10(16)9-5-11(12,13)6-14-9/h7-9,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 4,4-difluoro-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide?
4,4-difluoro-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 248.27 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(2-methyloxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 120955375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).