1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene

C17H12BrFO — CID 81331619

IUPAC1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene
SMILESFc1cc(Br)cc(OCc2cccc3ccccc23)c1
InChIInChI=1S/C17H12BrFO/c18-14-8-15(19)10-16(9-14)20-11-13-6-3-5-12-4-1-2-7-17(12)13/h1-10H,11H2
InChIKeyGPLAZDGEJMXXDI-UHFFFAOYSA-N
MW331.18 g/mol
LogP5.32
Rot. Bonds3

About 1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene

1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene (PubChem CID 81331619) has the molecular formula C17H12BrFO and a molecular weight of 331.18 g/mol. Its IUPAC name is 1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene.

Molecular Properties

Compound Name1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene
PubChem CID81331619
Molecular FormulaC17H12BrFO
Molecular Weight331.18 g/mol
Exact Mass330.01
IUPAC Name1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene
SMILESFc1cc(Br)cc(OCc2cccc3ccccc23)c1
InChIInChI=1S/C17H12BrFO/c18-14-8-15(19)10-16(9-14)20-11-13-6-3-5-12-4-1-2-7-17(12)13/h1-10H,11H2
InChIKeyGPLAZDGEJMXXDI-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.18
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114175
1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene
CID 112652328
2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460808
1-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 81325621
3-[(3-bromo-5-fluorophenoxy)methyl]-2-chloroquinoline
CID 81314347
2-[(3-bromo-5-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 81332303
N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 81314653
2-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331316
1-(phenoxymethyl)naphthalene
CID 588110
2-amino-6-[(3-bromo-5-fluorophenoxy)methyl]benzoic acid
CID 104825543
1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol
CID 70121150
3-[(3-bromo-5-fluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 81325707

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene?
The IUPAC name of 1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene (CID 81331619) is 1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene.
What is the SMILES notation for 1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene?
The canonical SMILES for 1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene is Fc1cc(Br)cc(OCc2cccc3ccccc23)c1.
What is the InChIKey of 1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene?
The InChIKey is GPLAZDGEJMXXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFO/c18-14-8-15(19)10-16(9-14)20-11-13-6-3-5-12-4-1-2-7-17(12)13/h1-10H,11H2.
What are the key properties of 1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene?
1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene has a molecular weight of 331.18 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene is sourced from PubChem (CID 81331619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).