1-bromo-4-(2-fluoroethoxy)naphthalene

C12H10BrFO — CID 15058747

IUPAC1-bromo-4-(2-fluoroethoxy)naphthalene
SMILESFCCOc1ccc(Br)c2ccccc12
InChIInChI=1S/C12H10BrFO/c13-11-5-6-12(15-8-7-14)10-4-2-1-3-9(10)11/h1-6H,7-8H2
InChIKeyJUXGGQHWFQKARC-UHFFFAOYSA-N
MW269.11 g/mol
LogP3.95
Rot. Bonds3

About 1-bromo-4-(2-fluoroethoxy)naphthalene

1-bromo-4-(2-fluoroethoxy)naphthalene (PubChem CID 15058747) has the molecular formula C12H10BrFO and a molecular weight of 269.11 g/mol. Its IUPAC name is 1-bromo-4-(2-fluoroethoxy)naphthalene.

Molecular Properties

Compound Name1-bromo-4-(2-fluoroethoxy)naphthalene
PubChem CID15058747
Molecular FormulaC12H10BrFO
Molecular Weight269.11 g/mol
Exact Mass267.99
IUPAC Name1-bromo-4-(2-fluoroethoxy)naphthalene
SMILESFCCOc1ccc(Br)c2ccccc12
InChIInChI=1S/C12H10BrFO/c13-11-5-6-12(15-8-7-14)10-4-2-1-3-9(10)11/h1-6H,7-8H2
InChIKeyJUXGGQHWFQKARC-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.11
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Bromo-6-methoxynaphthalene
CID 78786
1-Bromo-2-methoxynaphthalene
CID 72860
1-Bromo-4-methoxynaphthalene
CID 138521
1-Ethoxynaphthalene
CID 21403
1,6-Dibromo-2-methoxy-naphthalene
CID 3503057
1-(2-Bromoethoxy)naphthalene
CID 11075906
4-Bromo-2,3-dimethylanisole
CID 2752599
6-Bromochroman
CID 10856814
4-(Benzyloxy)-1-bromo-2-fluorobenzene
CID 22273933
2,4-Dibromo-1-methoxynaphthalene
CID 3572059
6-bromo-2-phenyl-2H-chromene
CID 44721340
1-Propoxynaphthalene
CID 1810231

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-fluoroethoxy)naphthalene?
The IUPAC name of 1-bromo-4-(2-fluoroethoxy)naphthalene (CID 15058747) is 1-bromo-4-(2-fluoroethoxy)naphthalene.
What is the SMILES notation for 1-bromo-4-(2-fluoroethoxy)naphthalene?
The canonical SMILES for 1-bromo-4-(2-fluoroethoxy)naphthalene is FCCOc1ccc(Br)c2ccccc12.
What is the InChIKey of 1-bromo-4-(2-fluoroethoxy)naphthalene?
The InChIKey is JUXGGQHWFQKARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFO/c13-11-5-6-12(15-8-7-14)10-4-2-1-3-9(10)11/h1-6H,7-8H2.
What are the key properties of 1-bromo-4-(2-fluoroethoxy)naphthalene?
1-bromo-4-(2-fluoroethoxy)naphthalene has a molecular weight of 269.11 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-fluoroethoxy)naphthalene is sourced from PubChem (CID 15058747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).