3-fluoro-2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine

C12H24FNO — CID 58778702

IUPAC3-fluoro-2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine
SMILESCOCC1C(F)CC(C(C)C)N1C(C)C
InChIInChI=1S/C12H24FNO/c1-8(2)11-6-10(13)12(7-15-5)14(11)9(3)4/h8-12H,6-7H2,1-5H3
InChIKeyTVJMJKBDBHXPDN-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.48
Rot. Bonds4

About 3-fluoro-2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine

3-fluoro-2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine (PubChem CID 58778702) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 3-fluoro-2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine
PubChem CID58778702
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name3-fluoro-2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine
SMILESCOCC1C(F)CC(C(C)C)N1C(C)C
InChIInChI=1S/C12H24FNO/c1-8(2)11-6-10(13)12(7-15-5)14(11)9(3)4/h8-12H,6-7H2,1-5H3
InChIKeyTVJMJKBDBHXPDN-UHFFFAOYSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine?
The IUPAC name of 3-fluoro-2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine (CID 58778702) is 3-fluoro-2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 3-fluoro-2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 3-fluoro-2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine is COCC1C(F)CC(C(C)C)N1C(C)C.
What is the InChIKey of 3-fluoro-2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine?
The InChIKey is TVJMJKBDBHXPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-8(2)11-6-10(13)12(7-15-5)14(11)9(3)4/h8-12H,6-7H2,1-5H3.
What are the key properties of 3-fluoro-2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine?
3-fluoro-2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine has a molecular weight of 217.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methoxymethyl)-1,5-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58778702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).