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

C9H14FNO2 — CID 118556860

IUPACcyclopropyl-[(3S,4R)-3-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1C[C@H](CF)[C@@H](O)C1
InChIInChI=1S/C9H14FNO2/c10-3-7-4-11(5-8(7)12)9(13)6-1-2-6/h6-8,12H,1-5H2/t7-,8-/m0/s1
InChIKeyYZVLWWGEFRBCOU-YUMQZZPRSA-N
MW187.21 g/mol
LogP0.19
Rot. Bonds2

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

cyclopropyl-[(3S,4R)-3-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 118556860) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is cyclopropyl-[(3S,4R)-3-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S,4R)-3-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID118556860
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Namecyclopropyl-[(3S,4R)-3-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1C[C@H](CF)[C@@H](O)C1
InChIInChI=1S/C9H14FNO2/c10-3-7-4-11(5-8(7)12)9(13)6-1-2-6/h6-8,12H,1-5H2/t7-,8-/m0/s1
InChIKeyYZVLWWGEFRBCOU-YUMQZZPRSA-N
XLogP0.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.19
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-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S,4R)-3-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone (CID 118556860) is cyclopropyl-[(3S,4R)-3-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S,4R)-3-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S,4R)-3-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone is O=C(C1CC1)N1C[C@H](CF)[C@@H](O)C1.
What is the InChIKey of cyclopropyl-[(3S,4R)-3-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is YZVLWWGEFRBCOU-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H14FNO2/c10-3-7-4-11(5-8(7)12)9(13)6-1-2-6/h6-8,12H,1-5H2/t7-,8-/m0/s1.
What are the key properties of cyclopropyl-[(3S,4R)-3-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone?
cyclopropyl-[(3S,4R)-3-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 187.21 g/mol, XLogP of 0.19, 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-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 118556860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).