2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide

C8H14F2N2O — CID 103514781

IUPAC2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(NCCN1CCCC1)C(F)F
InChIInChI=1S/C8H14F2N2O/c9-7(10)8(13)11-3-6-12-4-1-2-5-12/h7H,1-6H2,(H,11,13)
InChIKeyPELSESJKTQIBIM-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.46
Rot. Bonds4

About 2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide

2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 103514781) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID103514781
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(NCCN1CCCC1)C(F)F
InChIInChI=1S/C8H14F2N2O/c9-7(10)8(13)11-3-6-12-4-1-2-5-12/h7H,1-6H2,(H,11,13)
InChIKeyPELSESJKTQIBIM-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide
CID 103515570
(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 79025416
2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide
CID 79201801
(2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 155960645
N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 61240012
2-cyano-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 62641160
2-(aminomethyl)-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide
CID 65229412
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
2-pyrrolidin-1-ylethylurea;dihydrochloride
CID 174538220
3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide
CID 20664926
2,2-difluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 100701582
N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 580958

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 103514781) is 2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide is O=C(NCCN1CCCC1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is PELSESJKTQIBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c9-7(10)8(13)11-3-6-12-4-1-2-5-12/h7H,1-6H2,(H,11,13).
What are the key properties of 2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide?
2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 192.21 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 103514781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).