3-fluoro-3-(methoxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidine

C17H20FNO — CID 171998234

IUPAC3-fluoro-3-(methoxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidine
SMILESCOCC1(F)CCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C17H20FNO/c1-20-13-17(18)9-10-19(12-17)11-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3
InChIKeyZFEZLDSSWKNUDU-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.40
Rot. Bonds4

About 3-fluoro-3-(methoxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidine

3-fluoro-3-(methoxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidine (PubChem CID 171998234) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 3-fluoro-3-(methoxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-(methoxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidine
PubChem CID171998234
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name3-fluoro-3-(methoxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidine
SMILESCOCC1(F)CCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C17H20FNO/c1-20-13-17(18)9-10-19(12-17)11-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3
InChIKeyZFEZLDSSWKNUDU-UHFFFAOYSA-N
XLogP3.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine
CID 55649204
1-[(4S)-4-(methoxymethyl)-8-(naphthalen-1-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124802038
3-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)-1,4-diazepane
CID 64871720
4-(naphthalen-1-ylmethyl)thiomorpholine
CID 791354
1-[7-(naphthalen-1-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]prop-2-en-1-one
CID 168968712
N-(2-methoxyethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 31001505
4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide
CID 107162057
[3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol
CID 45215680
3-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 23396966
2-[(3-methoxy-3-methylpyrrolidin-1-yl)methyl]aniline
CID 167795344
1-[(5-bromo-2-methoxyphenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 4085464

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(methoxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidine?
The IUPAC name of 3-fluoro-3-(methoxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidine (CID 171998234) is 3-fluoro-3-(methoxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-3-(methoxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidine?
The canonical SMILES for 3-fluoro-3-(methoxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidine is COCC1(F)CCN(Cc2cccc3ccccc23)C1.
What is the InChIKey of 3-fluoro-3-(methoxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidine?
The InChIKey is ZFEZLDSSWKNUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-20-13-17(18)9-10-19(12-17)11-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3.
What are the key properties of 3-fluoro-3-(methoxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidine?
3-fluoro-3-(methoxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidine has a molecular weight of 273.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(methoxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 171998234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).