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

C9H13F2NO2 — CID 118556916

IUPACcyclopropyl-[3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC(O)C(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
InChIKeyLGJDNKPNLLEPIF-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.48
Rot. Bonds2

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

cyclopropyl-[3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 118556916) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is cyclopropyl-[3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID118556916
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Namecyclopropyl-[3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC(O)C(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
InChIKeyLGJDNKPNLLEPIF-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone (CID 118556916) is cyclopropyl-[3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone is O=C(C1CC1)N1CC(O)C(C(F)F)C1.
What is the InChIKey of cyclopropyl-[3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is LGJDNKPNLLEPIF-UHFFFAOYSA-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.
What are the key properties of cyclopropyl-[3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone?
cyclopropyl-[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-[3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 118556916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).