2-(1-bromonaphthalen-2-yl)oxy-1-(3,3-difluoropyrrolidin-1-yl)ethanone

C16H14BrF2NO2 — CID 176513386

IUPAC2-(1-bromonaphthalen-2-yl)oxy-1-(3,3-difluoropyrrolidin-1-yl)ethanone
SMILESO=C(COc1ccc2ccccc2c1Br)N1CCC(F)(F)C1
InChIInChI=1S/C16H14BrF2NO2/c17-15-12-4-2-1-3-11(12)5-6-13(15)22-9-14(21)20-8-7-16(18,19)10-20/h1-6H,7-10H2
InChIKeyMGLZJIOQWXMOEW-UHFFFAOYSA-N
MW370.19 g/mol
LogP3.85
Rot. Bonds3

About 2-(1-bromonaphthalen-2-yl)oxy-1-(3,3-difluoropyrrolidin-1-yl)ethanone

2-(1-bromonaphthalen-2-yl)oxy-1-(3,3-difluoropyrrolidin-1-yl)ethanone (PubChem CID 176513386) has the molecular formula C16H14BrF2NO2 and a molecular weight of 370.19 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-1-(3,3-difluoropyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-1-(3,3-difluoropyrrolidin-1-yl)ethanone
PubChem CID176513386
Molecular FormulaC16H14BrF2NO2
Molecular Weight370.19 g/mol
Exact Mass369.02
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-1-(3,3-difluoropyrrolidin-1-yl)ethanone
SMILESO=C(COc1ccc2ccccc2c1Br)N1CCC(F)(F)C1
InChIInChI=1S/C16H14BrF2NO2/c17-15-12-4-2-1-3-11(12)5-6-13(15)22-9-14(21)20-8-7-16(18,19)10-20/h1-6H,7-10H2
InChIKeyMGLZJIOQWXMOEW-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-{[(1-Bromo-2-naphthyl)oxy]acetyl}pyrrolidine
CID 703709
1-[2-(1-Bromonaphthalen-2-yl)oxyacetyl]piperidine-4-carboxamide
CID 1300403
2-(2-Naphthalenyloxy)-1-(1-pyrrolidinyl)ethanone
CID 875060
4-{[(1-Bromo-2-naphthyl)oxy]acetyl}morpholine
CID 1010736
1-{[(6-Bromo-2-naphthyl)oxy]acetyl}pyrrolidine
CID 2994958
4-{[(1,6-Dibromo-2-naphthyl)oxy]acetyl}morpholine
CID 1013700
2-(6-Bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone
CID 2455427
2-[(1-Bromo-2-naphthalenyl)oxy]-1-(1-piperidinyl)ethanone
CID 675984
1-{[(1-Bromo-2-naphthyl)oxy]acetyl}-4-methylpiperazine
CID 1301012
Ethyl 4-{[(1-bromo-2-naphthyl)oxy]acetyl}-1-piperazinecarboxylate
CID 2959558
2-(1-Bromonaphthalen-2-yl)oxy-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 2961654
2-[(1-bromo-2-naphthyl)oxy]-N-[2-(1-cyclohexen-1-yl)ethyl]acetamide
CID 1010848

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-1-(3,3-difluoropyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-1-(3,3-difluoropyrrolidin-1-yl)ethanone (CID 176513386) is 2-(1-bromonaphthalen-2-yl)oxy-1-(3,3-difluoropyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-1-(3,3-difluoropyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-1-(3,3-difluoropyrrolidin-1-yl)ethanone is O=C(COc1ccc2ccccc2c1Br)N1CCC(F)(F)C1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-1-(3,3-difluoropyrrolidin-1-yl)ethanone?
The InChIKey is MGLZJIOQWXMOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO2/c17-15-12-4-2-1-3-11(12)5-6-13(15)22-9-14(21)20-8-7-16(18,19)10-20/h1-6H,7-10H2.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-1-(3,3-difluoropyrrolidin-1-yl)ethanone?
2-(1-bromonaphthalen-2-yl)oxy-1-(3,3-difluoropyrrolidin-1-yl)ethanone has a molecular weight of 370.19 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-1-(3,3-difluoropyrrolidin-1-yl)ethanone is sourced from PubChem (CID 176513386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).