4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C6H11FN2O2 — CID 127011975

IUPAC4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CC(F)CC1CO
InChIInChI=1S/C6H11FN2O2/c7-4-1-5(3-10)9(2-4)6(8)11/h4-5,10H,1-3H2,(H2,8,11)
InChIKeyGKVFWFLFTYFEIA-UHFFFAOYSA-N
MW162.16 g/mol
LogP-0.53
Rot. Bonds1

About 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxamide

4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 127011975) has the molecular formula C6H11FN2O2 and a molecular weight of 162.16 g/mol. Its IUPAC name is 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID127011975
Molecular FormulaC6H11FN2O2
Molecular Weight162.16 g/mol
Exact Mass162.08
IUPAC Name4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CC(F)CC1CO
InChIInChI=1S/C6H11FN2O2/c7-4-1-5(3-10)9(2-4)6(8)11/h4-5,10H,1-3H2,(H2,8,11)
InChIKeyGKVFWFLFTYFEIA-UHFFFAOYSA-N
XLogP-0.53
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 127011975) is 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxamide is NC(=O)N1CC(F)CC1CO.
What is the InChIKey of 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is GKVFWFLFTYFEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O2/c7-4-1-5(3-10)9(2-4)6(8)11/h4-5,10H,1-3H2,(H2,8,11).
What are the key properties of 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 162.16 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 127011975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).