1-bromo-2-ethyl-4-[4-(trifluoromethyl)phenoxy]benzene

C15H12BrF3O — CID 143861394

IUPAC1-bromo-2-ethyl-4-[4-(trifluoromethyl)phenoxy]benzene
SMILESCCc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1Br
InChIInChI=1S/C15H12BrF3O/c1-2-10-9-13(7-8-14(10)16)20-12-5-3-11(4-6-12)15(17,18)19/h3-9H,2H2,1H3
InChIKeyBSDAMILJJYSXHR-UHFFFAOYSA-N
MW345.16 g/mol
LogP5.82
Rot. Bonds3

About 1-bromo-2-ethyl-4-[4-(trifluoromethyl)phenoxy]benzene

1-bromo-2-ethyl-4-[4-(trifluoromethyl)phenoxy]benzene (PubChem CID 143861394) has the molecular formula C15H12BrF3O and a molecular weight of 345.16 g/mol. Its IUPAC name is 1-bromo-2-ethyl-4-[4-(trifluoromethyl)phenoxy]benzene.

Molecular Properties

Compound Name1-bromo-2-ethyl-4-[4-(trifluoromethyl)phenoxy]benzene
PubChem CID143861394
Molecular FormulaC15H12BrF3O
Molecular Weight345.16 g/mol
Exact Mass344.00
IUPAC Name1-bromo-2-ethyl-4-[4-(trifluoromethyl)phenoxy]benzene
SMILESCCc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1Br
InChIInChI=1S/C15H12BrF3O/c1-2-10-9-13(7-8-14(10)16)20-12-5-3-11(4-6-12)15(17,18)19/h3-9H,2H2,1H3
InChIKeyBSDAMILJJYSXHR-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.16
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 114900818
[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]azanide
CID 154400720
3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 171590489
1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509620
1-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenoxy]benzene
CID 166074039
2-(4-bromo-3-ethylphenoxy)acetic acid
CID 14207512
2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 23353620
1-bromo-2-ethyl-4-methylbenzene;ethane
CID 153401137
1-bromo-2-pentadecyl-4-phenoxybenzene
CID 59297150
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622
4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde
CID 139680214
2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol
CID 21466577

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-ethyl-4-[4-(trifluoromethyl)phenoxy]benzene?
The IUPAC name of 1-bromo-2-ethyl-4-[4-(trifluoromethyl)phenoxy]benzene (CID 143861394) is 1-bromo-2-ethyl-4-[4-(trifluoromethyl)phenoxy]benzene.
What is the SMILES notation for 1-bromo-2-ethyl-4-[4-(trifluoromethyl)phenoxy]benzene?
The canonical SMILES for 1-bromo-2-ethyl-4-[4-(trifluoromethyl)phenoxy]benzene is CCc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1Br.
What is the InChIKey of 1-bromo-2-ethyl-4-[4-(trifluoromethyl)phenoxy]benzene?
The InChIKey is BSDAMILJJYSXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3O/c1-2-10-9-13(7-8-14(10)16)20-12-5-3-11(4-6-12)15(17,18)19/h3-9H,2H2,1H3.
What are the key properties of 1-bromo-2-ethyl-4-[4-(trifluoromethyl)phenoxy]benzene?
1-bromo-2-ethyl-4-[4-(trifluoromethyl)phenoxy]benzene has a molecular weight of 345.16 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-ethyl-4-[4-(trifluoromethyl)phenoxy]benzene is sourced from PubChem (CID 143861394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).