1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene

C13H12BrFO — CID 80696064

IUPAC1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene
SMILESFCCOc1ccc2ccccc2c1CBr
InChIInChI=1S/C13H12BrFO/c14-9-12-11-4-2-1-3-10(11)5-6-13(12)16-8-7-15/h1-6H,7-9H2
InChIKeyNGJFWUQLXIQJLI-UHFFFAOYSA-N
MW283.14 g/mol
LogP4.08
Rot. Bonds4

About 1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene

1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene (PubChem CID 80696064) has the molecular formula C13H12BrFO and a molecular weight of 283.14 g/mol. Its IUPAC name is 1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene.

Molecular Properties

Compound Name1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene
PubChem CID80696064
Molecular FormulaC13H12BrFO
Molecular Weight283.14 g/mol
Exact Mass282.01
IUPAC Name1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene
SMILESFCCOc1ccc2ccccc2c1CBr
InChIInChI=1S/C13H12BrFO/c14-9-12-11-4-2-1-3-10(11)5-6-13(12)16-8-7-15/h1-6H,7-9H2
InChIKeyNGJFWUQLXIQJLI-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(bromomethyl)-2-hexoxynaphthalene
CID 43505804
1-(bromomethyl)-2-(2-methylsulfonylethoxy)naphthalene
CID 54915025
N-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine
CID 80698952
1-(bromomethyl)-2-phenoxynaphthalene
CID 142635993
1-ethyl-2-propoxynaphthalene
CID 129259410
1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene
CID 80696092
[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]methanamine
CID 20985427
1-(chloromethyl)-2-(4,4,4-trifluorobutoxy)naphthalene
CID 115514409
3-(2-butoxynaphthalen-1-yl)propan-1-amine
CID 170867884
2-but-3-enoxy-1-prop-2-enylnaphthalene
CID 16750888
1-(chloromethyl)-2-(4-methoxybutoxy)naphthalene
CID 104648105
1-[2-(2-fluoroethoxy)naphthalen-1-yl]piperidin-4-amine
CID 80697555

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene?
The IUPAC name of 1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene (CID 80696064) is 1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene.
What is the SMILES notation for 1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene?
The canonical SMILES for 1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene is FCCOc1ccc2ccccc2c1CBr.
What is the InChIKey of 1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene?
The InChIKey is NGJFWUQLXIQJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFO/c14-9-12-11-4-2-1-3-10(11)5-6-13(12)16-8-7-15/h1-6H,7-9H2.
What are the key properties of 1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene?
1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene has a molecular weight of 283.14 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene is sourced from PubChem (CID 80696064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).