1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane

C10H21F2N — CID 169182399

IUPAC1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane
SMILESCC.CCC1CCN(CC(F)F)C1
InChIInChI=1S/C8H15F2N.C2H6/c1-2-7-3-4-11(5-7)6-8(9)10;1-2/h7-8H,2-6H2,1H3;1-2H3
InChIKeyZAZPARJJPYWQPE-UHFFFAOYSA-N
MW193.28 g/mol
LogP3.01
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane

1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane (PubChem CID 169182399) has the molecular formula C10H21F2N and a molecular weight of 193.28 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane
PubChem CID169182399
Molecular FormulaC10H21F2N
Molecular Weight193.28 g/mol
Exact Mass193.16
IUPAC Name1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane
SMILESCC.CCC1CCN(CC(F)F)C1
InChIInChI=1S/C8H15F2N.C2H6/c1-2-7-3-4-11(5-7)6-8(9)10;1-2/h7-8H,2-6H2,1H3;1-2H3
InChIKeyZAZPARJJPYWQPE-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-ethylpyrrolidin-1-yl)butan-2-ol
CID 115688740
1,3-diethylpyrrolidine;ethane
CID 145103245
1-(2,2-difluoroethyl)-4-propylpiperidine
CID 89323946
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 79005005
1,3-diethylpyrrolidine;ethane;molecular hydrogen
CID 143628979
1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine
CID 167291149
(3-ethylpyrrolidin-1-yl)methanamine
CID 57317446
1,3-diethylpyrrolidine;formonitrile
CID 175874911
3-chloro-1-(2,2-difluoroethyl)pyrrolidine
CID 63387384
1-ethoxy-3-(3-ethylpyrrolidin-1-yl)propan-2-ol
CID 115688741
1-cyclopentyl-N-ethyl-2-(3-ethylpyrrolidin-1-yl)ethanamine
CID 104747000
(3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine
CID 170053035

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane?
The IUPAC name of 1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane (CID 169182399) is 1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane is CC.CCC1CCN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane?
The InChIKey is ZAZPARJJPYWQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N.C2H6/c1-2-7-3-4-11(5-7)6-8(9)10;1-2/h7-8H,2-6H2,1H3;1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane?
1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane has a molecular weight of 193.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane is sourced from PubChem (CID 169182399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).