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

C9H13F2NO2 — CID 118556917

IUPACcyclopropyl-[(3S,4R)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1C[C@H](C(F)F)[C@@H](O)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-/m0/s1
InChIKeyLGJDNKPNLLEPIF-BQBZGAKWSA-N
MW205.20 g/mol
LogP0.48
Rot. Bonds2

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

cyclopropyl-[(3S,4R)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 118556917) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is cyclopropyl-[(3S,4R)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S,4R)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID118556917
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Namecyclopropyl-[(3S,4R)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1C[C@H](C(F)F)[C@@H](O)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-/m0/s1
InChIKeyLGJDNKPNLLEPIF-BQBZGAKWSA-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-[(3S,4R)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S,4R)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone (CID 118556917) is cyclopropyl-[(3S,4R)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S,4R)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S,4R)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone is O=C(C1CC1)N1C[C@H](C(F)F)[C@@H](O)C1.
What is the InChIKey of cyclopropyl-[(3S,4R)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is LGJDNKPNLLEPIF-BQBZGAKWSA-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-/m0/s1.
What are the key properties of cyclopropyl-[(3S,4R)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone?
cyclopropyl-[(3S,4R)-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-[(3S,4R)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 118556917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).