3-(1-fluoropropan-2-yl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine

C13H24FNO — CID 177010147

IUPAC3-(1-fluoropropan-2-yl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCOCC1(CN2CCC(C(C)CF)C2)CC1
InChIInChI=1S/C13H24FNO/c1-11(7-14)12-3-6-15(8-12)9-13(4-5-13)10-16-2/h11-12H,3-10H2,1-2H3
InChIKeyUZYHKQLFNDHJDZ-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.34
Rot. Bonds6

About 3-(1-fluoropropan-2-yl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine

3-(1-fluoropropan-2-yl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine (PubChem CID 177010147) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-(1-fluoropropan-2-yl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine.

Molecular Properties

Compound Name3-(1-fluoropropan-2-yl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
PubChem CID177010147
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name3-(1-fluoropropan-2-yl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCOCC1(CN2CCC(C(C)CF)C2)CC1
InChIInChI=1S/C13H24FNO/c1-11(7-14)12-3-6-15(8-12)9-13(4-5-13)10-16-2/h11-12H,3-10H2,1-2H3
InChIKeyUZYHKQLFNDHJDZ-UHFFFAOYSA-N
XLogP2.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoropropan-2-yl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine?
The IUPAC name of 3-(1-fluoropropan-2-yl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine (CID 177010147) is 3-(1-fluoropropan-2-yl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine.
What is the SMILES notation for 3-(1-fluoropropan-2-yl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine?
The canonical SMILES for 3-(1-fluoropropan-2-yl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine is COCC1(CN2CCC(C(C)CF)C2)CC1.
What is the InChIKey of 3-(1-fluoropropan-2-yl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine?
The InChIKey is UZYHKQLFNDHJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-11(7-14)12-3-6-15(8-12)9-13(4-5-13)10-16-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-(1-fluoropropan-2-yl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine?
3-(1-fluoropropan-2-yl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine has a molecular weight of 229.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoropropan-2-yl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine is sourced from PubChem (CID 177010147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).