[(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone

C11H17F2NO — CID 147863064

IUPAC[(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
SMILESCC[C@@]1(C)CCN(C(=O)[C@H]2CC2(F)F)C1
InChIInChI=1S/C11H17F2NO/c1-3-10(2)4-5-14(7-10)9(15)8-6-11(8,12)13/h8H,3-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyHXBYCKQNSJBTHQ-SCZZXKLOSA-N
MW217.26 g/mol
LogP2.29
Rot. Bonds2

About [(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone

[(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone (PubChem CID 147863064) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is [(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
PubChem CID147863064
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name[(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
SMILESCC[C@@]1(C)CCN(C(=O)[C@H]2CC2(F)F)C1
InChIInChI=1S/C11H17F2NO/c1-3-10(2)4-5-14(7-10)9(15)8-6-11(8,12)13/h8H,3-7H2,1-2H3/t8-,10+/m1/s1
InChIKeyHXBYCKQNSJBTHQ-SCZZXKLOSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
CID 118447951
[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 144942209
(2,2-difluorocyclopropyl)-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)methanone
CID 171415579
2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 118447158
(2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane
CID 144942226
1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 127370172
2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120992499
(4-ethyl-4-methylpiperidin-1-yl)-piperidin-4-ylmethanone
CID 63160104
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 120806071
cyclopropyl-(3-ethyl-3-methylpyrrolidin-1-yl)methanimine
CID 130856013
(3-ethyl-3-methylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 119789063
(2,2-difluorocyclopropyl)-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 128575376

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone (CID 147863064) is [(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone is CC[C@@]1(C)CCN(C(=O)[C@H]2CC2(F)F)C1.
What is the InChIKey of [(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is HXBYCKQNSJBTHQ-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-3-10(2)4-5-14(7-10)9(15)8-6-11(8,12)13/h8H,3-7H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of [(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone?
[(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 217.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 147863064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).