[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone

C10H16F2N2O2 — CID 121204077

IUPAC[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESO=C(C1CCCN1)N1CC(F)(F)CC1CO
InChIInChI=1S/C10H16F2N2O2/c11-10(12)4-7(5-15)14(6-10)9(16)8-2-1-3-13-8/h7-8,13,15H,1-6H2
InChIKeyKTDVIWSVAKVWJD-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.03
Rot. Bonds2

About [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone

[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 121204077) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID121204077
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
SMILESO=C(C1CCCN1)N1CC(F)(F)CC1CO
InChIInChI=1S/C10H16F2N2O2/c11-10(12)4-7(5-15)14(6-10)9(16)8-2-1-3-13-8/h7-8,13,15H,1-6H2
InChIKeyKTDVIWSVAKVWJD-UHFFFAOYSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129499909
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 103840926
[2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913741
1-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 147076228
1-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 58790405
azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107217930
azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634620
(2-ethylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103793731
(3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 135306349
(2-ethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61154160
3-[(2R)-4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 154220517
[2-(2-hydroxyethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61149225

Frequently Asked Questions

What is the IUPAC name of [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone (CID 121204077) is [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone is O=C(C1CCCN1)N1CC(F)(F)CC1CO.
What is the InChIKey of [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is KTDVIWSVAKVWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c11-10(12)4-7(5-15)14(6-10)9(16)8-2-1-3-13-8/h7-8,13,15H,1-6H2.
What are the key properties of [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone?
[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 234.25 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 121204077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).