1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene

C17H11BrF2O — CID 78909521

IUPAC1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene
SMILESFc1ccc(COc2ccc3ccccc3c2Br)cc1F
InChIInChI=1S/C17H11BrF2O/c18-17-13-4-2-1-3-12(13)6-8-16(17)21-10-11-5-7-14(19)15(20)9-11/h1-9H,10H2
InChIKeyOLEVFUDSKHZXBI-UHFFFAOYSA-N
MW349.17 g/mol
LogP5.46
Rot. Bonds3

About 1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene

1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene (PubChem CID 78909521) has the molecular formula C17H11BrF2O and a molecular weight of 349.17 g/mol. Its IUPAC name is 1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene.

Molecular Properties

Compound Name1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene
PubChem CID78909521
Molecular FormulaC17H11BrF2O
Molecular Weight349.17 g/mol
Exact Mass348.00
IUPAC Name1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene
SMILESFc1ccc(COc2ccc3ccccc3c2Br)cc1F
InChIInChI=1S/C17H11BrF2O/c18-17-13-4-2-1-3-12(13)6-8-16(17)21-10-11-5-7-14(19)15(20)9-11/h1-9H,10H2
InChIKeyOLEVFUDSKHZXBI-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.17
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-[(3-methylphenyl)methoxy]naphthalene
CID 60623253
5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloroaniline
CID 63460675
1-bromo-2-[(3,5-dimethylphenyl)methoxy]naphthalene
CID 60623254
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
3-[(1-bromonaphthalen-2-yl)oxymethyl]benzonitrile
CID 60623214
5-[(1-bromonaphthalen-2-yl)oxymethyl]-2-chloropyridine
CID 63480626
4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82919067
[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 78993100
1,6-dibromo-2-[[4-[(1,6-dibromonaphthalen-2-yl)oxymethyl]phenyl]methoxy]naphthalene
CID 59168529
5-bromo-2-[(3,4-difluorophenyl)methoxy]aniline
CID 82918529
4-[(1-bromonaphthalen-2-yl)oxymethyl]-1,2-oxazole
CID 54910825
4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene
CID 82918187

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene?
The IUPAC name of 1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene (CID 78909521) is 1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene.
What is the SMILES notation for 1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene?
The canonical SMILES for 1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene is Fc1ccc(COc2ccc3ccccc3c2Br)cc1F.
What is the InChIKey of 1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene?
The InChIKey is OLEVFUDSKHZXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF2O/c18-17-13-4-2-1-3-12(13)6-8-16(17)21-10-11-5-7-14(19)15(20)9-11/h1-9H,10H2.
What are the key properties of 1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene?
1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene has a molecular weight of 349.17 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(3,4-difluorophenyl)methoxy]naphthalene is sourced from PubChem (CID 78909521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).