3-fluoro-4-methoxy-1-methylpyrrolidine

C6H12FNO — CID 122549622

IUPAC3-fluoro-4-methoxy-1-methylpyrrolidine
SMILESCOC1CN(C)CC1F
InChIInChI=1S/C6H12FNO/c1-8-3-5(7)6(4-8)9-2/h5-6H,3-4H2,1-2H3
InChIKeyRTCDOZULXVXHCN-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.28
Rot. Bonds1

About 3-fluoro-4-methoxy-1-methylpyrrolidine

3-fluoro-4-methoxy-1-methylpyrrolidine (PubChem CID 122549622) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-1-methylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-4-methoxy-1-methylpyrrolidine
PubChem CID122549622
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name3-fluoro-4-methoxy-1-methylpyrrolidine
SMILESCOC1CN(C)CC1F
InChIInChI=1S/C6H12FNO/c1-8-3-5(7)6(4-8)9-2/h5-6H,3-4H2,1-2H3
InChIKeyRTCDOZULXVXHCN-UHFFFAOYSA-N
XLogP0.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Oxiran-2-yl)methyl]pyrrolidine
CID 13313617
2-(3-Methoxypyrrolidin-1-yl)ethan-1-ol
CID 19039811
1-(2-Methoxyethyl)pyrrolidine
CID 12183844
1-Methyl-3-(2,2,2-trifluoroethoxy)pyrrolidine
CID 18722933
1-Methyl-3-(3,3,3-trifluoropropoxy)pyrrolidine
CID 18722936
1-Methyl-3-(4,4,4-trifluorobutoxy)pyrrolidine
CID 18722941
3-Fluoro-1-(3-propan-2-yloxypropyl)pyrrolidine
CID 20742857
CID 20745984
CID 20745984
1-(1-Fluoroethyl)pyrrolidin-3-ol
CID 22438903
cis-3-Fluoro-4-methoxy-pyrrolidine
CID 22603647
3-Fluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58140054
3,3-Difluoro-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 58140093

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-1-methylpyrrolidine?
The IUPAC name of 3-fluoro-4-methoxy-1-methylpyrrolidine (CID 122549622) is 3-fluoro-4-methoxy-1-methylpyrrolidine.
What is the SMILES notation for 3-fluoro-4-methoxy-1-methylpyrrolidine?
The canonical SMILES for 3-fluoro-4-methoxy-1-methylpyrrolidine is COC1CN(C)CC1F.
What is the InChIKey of 3-fluoro-4-methoxy-1-methylpyrrolidine?
The InChIKey is RTCDOZULXVXHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-8-3-5(7)6(4-8)9-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-1-methylpyrrolidine?
3-fluoro-4-methoxy-1-methylpyrrolidine has a molecular weight of 133.17 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-1-methylpyrrolidine is sourced from PubChem (CID 122549622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).