4-fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine

C11H22FNO — CID 129229279

IUPAC4-fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine
SMILESCOC1C(F)CN(C(C)C)C1C(C)C
InChIInChI=1S/C11H22FNO/c1-7(2)10-11(14-5)9(12)6-13(10)8(3)4/h7-11H,6H2,1-5H3
InChIKeyANIGKSQIFAXOPY-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.09
Rot. Bonds3

About 4-fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine

4-fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine (PubChem CID 129229279) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name4-fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine
PubChem CID129229279
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name4-fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine
SMILESCOC1C(F)CN(C(C)C)C1C(C)C
InChIInChI=1S/C11H22FNO/c1-7(2)10-11(14-5)9(12)6-13(10)8(3)4/h7-11H,6H2,1-5H3
InChIKeyANIGKSQIFAXOPY-UHFFFAOYSA-N
XLogP2.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine?
The IUPAC name of 4-fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine (CID 129229279) is 4-fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 4-fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 4-fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine is COC1C(F)CN(C(C)C)C1C(C)C.
What is the InChIKey of 4-fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine?
The InChIKey is ANIGKSQIFAXOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-7(2)10-11(14-5)9(12)6-13(10)8(3)4/h7-11H,6H2,1-5H3.
What are the key properties of 4-fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine?
4-fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine has a molecular weight of 203.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 129229279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).