(2S)-1-(3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl)-2-hydroxypropan-1-one

C10H17F2NO3 — CID 121261757

IUPAC(2S)-1-(3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl)-2-hydroxypropan-1-one
SMILESCC(C)OC1CN(C(=O)[C@H](C)O)CC1(F)F
InChIInChI=1S/C10H17F2NO3/c1-6(2)16-8-4-13(5-10(8,11)12)9(15)7(3)14/h6-8,14H,4-5H2,1-3H3/t7-,8?/m0/s1
InChIKeyMQXMTISUFQMPHX-JAMMHHFISA-N
MW237.25 g/mol
LogP0.64
Rot. Bonds3

About (2S)-1-(3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl)-2-hydroxypropan-1-one

(2S)-1-(3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl)-2-hydroxypropan-1-one (PubChem CID 121261757) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is (2S)-1-(3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-(3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl)-2-hydroxypropan-1-one
PubChem CID121261757
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name(2S)-1-(3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl)-2-hydroxypropan-1-one
SMILESCC(C)OC1CN(C(=O)[C@H](C)O)CC1(F)F
InChIInChI=1S/C10H17F2NO3/c1-6(2)16-8-4-13(5-10(8,11)12)9(15)7(3)14/h6-8,14H,4-5H2,1-3H3/t7-,8?/m0/s1
InChIKeyMQXMTISUFQMPHX-JAMMHHFISA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887329
1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-propoxyethanone
CID 164641039
3,3,3-Trifluoro-2-hydroxy-1-(pyrrolidin-1-YL)propan-1-one
CID 14436604
(2S)-3,3,3-trifluoro-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 67704779
(2R)-3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one
CID 68267294
(2S)-3,3,3-trifluoro-2-hydroxy-1-(4-propan-2-yloxypiperidin-1-yl)propan-1-one
CID 68267303
(2R)-1-(4-ethoxypiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 68378157
2,2,2-trifluoro-1-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]ethanone
CID 89059468
1-[(4R)-3,3-difluoro-4-methoxypyrrolidin-1-yl]-2-hydroxyethanone
CID 121246744
1-[(4S)-4-ethoxy-3,3-difluoropyrrolidin-1-yl]-2-hydroxyethanone
CID 121246747
1-[(3R,4R)-3-fluoro-4-methoxypyrrolidin-1-yl]-2-hydroxyethanone
CID 121246751
1-(3,3-Difluoro-4-methoxypyrrolidin-1-yl)-2-hydroxyethanone
CID 121246945

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl)-2-hydroxypropan-1-one?
The IUPAC name of (2S)-1-(3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl)-2-hydroxypropan-1-one (CID 121261757) is (2S)-1-(3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl)-2-hydroxypropan-1-one.
What is the SMILES notation for (2S)-1-(3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl)-2-hydroxypropan-1-one?
The canonical SMILES for (2S)-1-(3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl)-2-hydroxypropan-1-one is CC(C)OC1CN(C(=O)[C@H](C)O)CC1(F)F.
What is the InChIKey of (2S)-1-(3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl)-2-hydroxypropan-1-one?
The InChIKey is MQXMTISUFQMPHX-JAMMHHFISA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-6(2)16-8-4-13(5-10(8,11)12)9(15)7(3)14/h6-8,14H,4-5H2,1-3H3/t7-,8?/m0/s1.
What are the key properties of (2S)-1-(3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl)-2-hydroxypropan-1-one?
(2S)-1-(3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl)-2-hydroxypropan-1-one has a molecular weight of 237.25 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,3-difluoro-4-propan-2-yloxypyrrolidin-1-yl)-2-hydroxypropan-1-one is sourced from PubChem (CID 121261757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).