1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one

C10H18FNO2 — CID 58790026

IUPAC1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCO[C@@H]1CN(C(=O)C(C)(C)C)CC1F
InChIInChI=1S/C10H18FNO2/c1-10(2,3)9(13)12-5-7(11)8(6-12)14-4/h7-8H,5-6H2,1-4H3/t7?,8-/m1/s1
InChIKeyDZYVNCHYZMTFGD-BRFYHDHCSA-N
MW203.26 g/mol
LogP1.23
Rot. Bonds1

About 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one

1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 58790026) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID58790026
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCO[C@@H]1CN(C(=O)C(C)(C)C)CC1F
InChIInChI=1S/C10H18FNO2/c1-10(2,3)9(13)12-5-7(11)8(6-12)14-4/h7-8H,5-6H2,1-4H3/t7?,8-/m1/s1
InChIKeyDZYVNCHYZMTFGD-BRFYHDHCSA-N
XLogP1.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one 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

1-[(4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 58790231
2,2,2-trifluoro-1-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]ethanone
CID 89059468
1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]propan-1-one
CID 89231844
2,2-difluoro-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
CID 121246962
2,2-difluoro-1-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]ethanone
CID 121261738
1-[3-(Difluoromethoxy)pyrrolidin-1-yl]ethanone
CID 131042064
1-[3-(1-Fluoroethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 134271508
1-[3-(Difluoromethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 134271523
1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]ethanone
CID 143542188
2,2-Difluoro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103540683
2,2,3,3-Tetrafluoro-1-(3-methoxypyrrolidin-1-yl)propan-1-one
CID 108059541
2,2,3,3,3-Pentafluoro-1-(3-methoxypyrrolidin-1-yl)propan-1-one
CID 108095619

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one (CID 58790026) is 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one is CO[C@@H]1CN(C(=O)C(C)(C)C)CC1F.
What is the InChIKey of 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is DZYVNCHYZMTFGD-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-10(2,3)9(13)12-5-7(11)8(6-12)14-4/h7-8H,5-6H2,1-4H3/t7?,8-/m1/s1.
What are the key properties of 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 203.26 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58790026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).