cyclopropyl-[(3R,4S)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone

C9H13F2NO2 — CID 131744788

IUPACcyclopropyl-[(3R,4S)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1C[C@@H](O)[C@H](C(F)F)C1
InChIInChI=1S/C9H13F2NO2/c10-8(11)6-3-12(4-7(6)13)9(14)5-1-2-5/h5-8,13H,1-4H2/t6-,7-/m1/s1
InChIKeyLGJDNKPNLLEPIF-RNFRBKRXSA-N
MW205.20 g/mol
LogP0.48
Rot. Bonds2

About cyclopropyl-[(3R,4S)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone

cyclopropyl-[(3R,4S)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 131744788) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is cyclopropyl-[(3R,4S)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R,4S)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID131744788
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Namecyclopropyl-[(3R,4S)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1C[C@@H](O)[C@H](C(F)F)C1
InChIInChI=1S/C9H13F2NO2/c10-8(11)6-3-12(4-7(6)13)9(14)5-1-2-5/h5-8,13H,1-4H2/t6-,7-/m1/s1
InChIKeyLGJDNKPNLLEPIF-RNFRBKRXSA-N
XLogP0.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 59800205
2,2,2-Trifluoro-1-(3-hydroxy-4-methylpyrrolidin-1-yl)ethanone
CID 59898862
2,2,2-Trifluoro-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62916597
Cyclopropyl-[3-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 118556859
cyclopropyl-[(3S,4R)-3-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 118556860
Cyclopropyl-[3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 118556916
cyclopropyl-[(3S,4R)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 118556917
(2,2-difluorocyclopropyl)-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone
CID 132228360
1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 132267389
1-(3-Fluoro-4-hydroxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 132267390
1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 132267392
1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylbutan-1-one
CID 138583476

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R,4S)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R,4S)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone (CID 131744788) is cyclopropyl-[(3R,4S)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R,4S)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R,4S)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone is O=C(C1CC1)N1C[C@@H](O)[C@H](C(F)F)C1.
What is the InChIKey of cyclopropyl-[(3R,4S)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is LGJDNKPNLLEPIF-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H13F2NO2/c10-8(11)6-3-12(4-7(6)13)9(14)5-1-2-5/h5-8,13H,1-4H2/t6-,7-/m1/s1.
What are the key properties of cyclopropyl-[(3R,4S)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone?
cyclopropyl-[(3R,4S)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 205.20 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R,4S)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 131744788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).