2-(3-bromo-5-fluorophenoxy)naphthalene

C16H10BrFO — CID 19764778

IUPAC2-(3-bromo-5-fluorophenoxy)naphthalene
SMILESFc1cc(Br)cc(Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C16H10BrFO/c17-13-8-14(18)10-16(9-13)19-15-6-5-11-3-1-2-4-12(11)7-15/h1-10H
InChIKeyIQMSHHBTIZOPSD-UHFFFAOYSA-N
MW317.16 g/mol
LogP5.53
Rot. Bonds2

About 2-(3-bromo-5-fluorophenoxy)naphthalene

2-(3-bromo-5-fluorophenoxy)naphthalene (PubChem CID 19764778) has the molecular formula C16H10BrFO and a molecular weight of 317.16 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)naphthalene.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)naphthalene
PubChem CID19764778
Molecular FormulaC16H10BrFO
Molecular Weight317.16 g/mol
Exact Mass315.99
IUPAC Name2-(3-bromo-5-fluorophenoxy)naphthalene
SMILESFc1cc(Br)cc(Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C16H10BrFO/c17-13-8-14(18)10-16(9-13)19-15-6-5-11-3-1-2-4-12(11)7-15/h1-10H
InChIKeyIQMSHHBTIZOPSD-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.16
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)naphthalene?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)naphthalene (CID 19764778) is 2-(3-bromo-5-fluorophenoxy)naphthalene.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)naphthalene?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)naphthalene is Fc1cc(Br)cc(Oc2ccc3ccccc3c2)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)naphthalene?
The InChIKey is IQMSHHBTIZOPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFO/c17-13-8-14(18)10-16(9-13)19-15-6-5-11-3-1-2-4-12(11)7-15/h1-10H.
What are the key properties of 2-(3-bromo-5-fluorophenoxy)naphthalene?
2-(3-bromo-5-fluorophenoxy)naphthalene has a molecular weight of 317.16 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenoxy)naphthalene is sourced from PubChem (CID 19764778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).