3-fluoro-1-(1-methoxypropan-2-yl)-3-methylpyrrolidine

C9H18FNO — CID 130638372

IUPAC3-fluoro-1-(1-methoxypropan-2-yl)-3-methylpyrrolidine
SMILESCOCC(C)N1CCC(C)(F)C1
InChIInChI=1S/C9H18FNO/c1-8(6-12-3)11-5-4-9(2,10)7-11/h8H,4-7H2,1-3H3
InChIKeyYASKKPBEIWHROK-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds3

About 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylpyrrolidine

3-fluoro-1-(1-methoxypropan-2-yl)-3-methylpyrrolidine (PubChem CID 130638372) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-(1-methoxypropan-2-yl)-3-methylpyrrolidine
PubChem CID130638372
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-fluoro-1-(1-methoxypropan-2-yl)-3-methylpyrrolidine
SMILESCOCC(C)N1CCC(C)(F)C1
InChIInChI=1S/C9H18FNO/c1-8(6-12-3)11-5-4-9(2,10)7-11/h8H,4-7H2,1-3H3
InChIKeyYASKKPBEIWHROK-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Methoxyethyl)-1-methylpyrrolidin-1-ium
CID 12157913
(3S)-3-fluoro-1-(2-methoxyethyl)pyrrolidine
CID 58222004
(3R)-3-fluoro-1-(2-methoxyethyl)pyrrolidine
CID 58222091
(3S)-3-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 58968845
3-Fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 72477190
3-Fluoro-1-(2-methoxyethyl)pyrrolidine
CID 76707246
(3S)-1-(2-ethoxyethyl)-3-fluoropyrrolidine
CID 88974397
2-Ethyl-4-fluoro-1-(2-methoxyethyl)pyrrolidine
CID 117904731
3,3-Difluoro-4-methyl-1-(oxetan-3-yl)pyrrolidine
CID 129270064
1-(2-Ethoxyethyl)-3-fluoropyrrolidine
CID 130400124
(3R,4R)-1-tert-butyl-3-fluoro-4-methoxypyrrolidine
CID 134166302
(3R)-3-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 141637974

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylpyrrolidine?
The IUPAC name of 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylpyrrolidine (CID 130638372) is 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylpyrrolidine.
What is the SMILES notation for 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylpyrrolidine?
The canonical SMILES for 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylpyrrolidine is COCC(C)N1CCC(C)(F)C1.
What is the InChIKey of 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylpyrrolidine?
The InChIKey is YASKKPBEIWHROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(6-12-3)11-5-4-9(2,10)7-11/h8H,4-7H2,1-3H3.
What are the key properties of 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylpyrrolidine?
3-fluoro-1-(1-methoxypropan-2-yl)-3-methylpyrrolidine has a molecular weight of 175.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylpyrrolidine is sourced from PubChem (CID 130638372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).