5-bromo-1,3-difluoro-2-[2-(4-fluorophenyl)ethoxy]benzene

C14H10BrF3O — CID 135206571

IUPAC5-bromo-1,3-difluoro-2-[2-(4-fluorophenyl)ethoxy]benzene
SMILESFc1ccc(CCOc2c(F)cc(Br)cc2F)cc1
InChIInChI=1S/C14H10BrF3O/c15-10-7-12(17)14(13(18)8-10)19-6-5-9-1-3-11(16)4-2-9/h1-4,7-8H,5-6H2
InChIKeyUHTLRVIRJNJVIB-UHFFFAOYSA-N
MW331.13 g/mol
LogP4.49
Rot. Bonds4

About 5-bromo-1,3-difluoro-2-[2-(4-fluorophenyl)ethoxy]benzene

5-bromo-1,3-difluoro-2-[2-(4-fluorophenyl)ethoxy]benzene (PubChem CID 135206571) has the molecular formula C14H10BrF3O and a molecular weight of 331.13 g/mol. Its IUPAC name is 5-bromo-1,3-difluoro-2-[2-(4-fluorophenyl)ethoxy]benzene.

Molecular Properties

Compound Name5-bromo-1,3-difluoro-2-[2-(4-fluorophenyl)ethoxy]benzene
PubChem CID135206571
Molecular FormulaC14H10BrF3O
Molecular Weight331.13 g/mol
Exact Mass329.99
IUPAC Name5-bromo-1,3-difluoro-2-[2-(4-fluorophenyl)ethoxy]benzene
SMILESFc1ccc(CCOc2c(F)cc(Br)cc2F)cc1
InChIInChI=1S/C14H10BrF3O/c15-10-7-12(17)14(13(18)8-10)19-6-5-9-1-3-11(16)4-2-9/h1-4,7-8H,5-6H2
InChIKeyUHTLRVIRJNJVIB-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.13
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-[2-(4-fluorophenyl)ethoxy]benzonitrile
CID 135207001
5-bromo-1,3-difluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 118408184
5-bromo-2-[2-(4-bromophenyl)ethyl]-1,3-difluorobenzene
CID 139192446
1-bromo-2-[2-(4-fluorophenyl)ethoxy]-4-(trifluoromethyl)benzene
CID 69116873
[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine
CID 79886217
5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene
CID 79888109
2-[2-(4-bromophenoxy)ethoxy]-5-(chloromethyl)-1,3-difluorobenzene
CID 79881325
4-[2-(4-bromo-3-fluorophenoxy)ethyl]aniline
CID 65204078
2-butoxy-1,3-difluoro-5-(4-pentylphenyl)benzene
CID 67842427
[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886388
N-[4-bromo-2-[2-(4-fluorophenyl)ethoxy]phenyl]-1,1-difluoromethanesulfonamide
CID 175430588
2-[2-[4-(bromomethyl)-2,6-difluorophenoxy]ethyl]thiophene
CID 79887659

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-difluoro-2-[2-(4-fluorophenyl)ethoxy]benzene?
The IUPAC name of 5-bromo-1,3-difluoro-2-[2-(4-fluorophenyl)ethoxy]benzene (CID 135206571) is 5-bromo-1,3-difluoro-2-[2-(4-fluorophenyl)ethoxy]benzene.
What is the SMILES notation for 5-bromo-1,3-difluoro-2-[2-(4-fluorophenyl)ethoxy]benzene?
The canonical SMILES for 5-bromo-1,3-difluoro-2-[2-(4-fluorophenyl)ethoxy]benzene is Fc1ccc(CCOc2c(F)cc(Br)cc2F)cc1.
What is the InChIKey of 5-bromo-1,3-difluoro-2-[2-(4-fluorophenyl)ethoxy]benzene?
The InChIKey is UHTLRVIRJNJVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3O/c15-10-7-12(17)14(13(18)8-10)19-6-5-9-1-3-11(16)4-2-9/h1-4,7-8H,5-6H2.
What are the key properties of 5-bromo-1,3-difluoro-2-[2-(4-fluorophenyl)ethoxy]benzene?
5-bromo-1,3-difluoro-2-[2-(4-fluorophenyl)ethoxy]benzene has a molecular weight of 331.13 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-difluoro-2-[2-(4-fluorophenyl)ethoxy]benzene is sourced from PubChem (CID 135206571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).