4-fluoro-4-(fluoromethyl)pyrrolidine-2-carboxamide

C6H10F2N2O — CID 162459701

IUPAC4-fluoro-4-(fluoromethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(F)(CF)CN1
InChIInChI=1S/C6H10F2N2O/c7-2-6(8)1-4(5(9)11)10-3-6/h4,10H,1-3H2,(H2,9,11)
InChIKeyXSEPBCGPACSINJ-UHFFFAOYSA-N
MW164.15 g/mol
LogP-0.49
Rot. Bonds2

About 4-fluoro-4-(fluoromethyl)pyrrolidine-2-carboxamide

4-fluoro-4-(fluoromethyl)pyrrolidine-2-carboxamide (PubChem CID 162459701) has the molecular formula C6H10F2N2O and a molecular weight of 164.15 g/mol. Its IUPAC name is 4-fluoro-4-(fluoromethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-4-(fluoromethyl)pyrrolidine-2-carboxamide
PubChem CID162459701
Molecular FormulaC6H10F2N2O
Molecular Weight164.15 g/mol
Exact Mass164.08
IUPAC Name4-fluoro-4-(fluoromethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(F)(CF)CN1
InChIInChI=1S/C6H10F2N2O/c7-2-6(8)1-4(5(9)11)10-3-6/h4,10H,1-3H2,(H2,9,11)
InChIKeyXSEPBCGPACSINJ-UHFFFAOYSA-N
XLogP-0.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(fluoromethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-fluoro-4-(fluoromethyl)pyrrolidine-2-carboxamide (CID 162459701) is 4-fluoro-4-(fluoromethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-fluoro-4-(fluoromethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-fluoro-4-(fluoromethyl)pyrrolidine-2-carboxamide is NC(=O)C1CC(F)(CF)CN1.
What is the InChIKey of 4-fluoro-4-(fluoromethyl)pyrrolidine-2-carboxamide?
The InChIKey is XSEPBCGPACSINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O/c7-2-6(8)1-4(5(9)11)10-3-6/h4,10H,1-3H2,(H2,9,11).
What are the key properties of 4-fluoro-4-(fluoromethyl)pyrrolidine-2-carboxamide?
4-fluoro-4-(fluoromethyl)pyrrolidine-2-carboxamide has a molecular weight of 164.15 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(fluoromethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 162459701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).