2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene

C10H9BrClF3O — CID 135154916

IUPAC2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene
SMILESFC(F)(F)COc1ccc(Cl)cc1CCBr
InChIInChI=1S/C10H9BrClF3O/c11-4-3-7-5-8(12)1-2-9(7)16-6-10(13,14)15/h1-2,5H,3-4,6H2
InChIKeyNFKMDNDYXSBPFB-UHFFFAOYSA-N
MW317.53 g/mol
LogP4.22
Rot. Bonds4

About 2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene

2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene (PubChem CID 135154916) has the molecular formula C10H9BrClF3O and a molecular weight of 317.53 g/mol. Its IUPAC name is 2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene
PubChem CID135154916
Molecular FormulaC10H9BrClF3O
Molecular Weight317.53 g/mol
Exact Mass315.95
IUPAC Name2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene
SMILESFC(F)(F)COc1ccc(Cl)cc1CCBr
InChIInChI=1S/C10H9BrClF3O/c11-4-3-7-5-8(12)1-2-9(7)16-6-10(13,14)15/h1-2,5H,3-4,6H2
InChIKeyNFKMDNDYXSBPFB-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.53
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-4-chloro-1-(2,2,2-trifluoroethoxymethoxy)benzene
CID 106705221
2-(3-bromopropyl)-4-chloro-1-(fluoromethoxy)benzene
CID 118807576
4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene
CID 18741298
[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 86725584
[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-oxoazanium
CID 154675748
5-chloro-N-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 154968259
2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate
CID 175387864
4-chloro-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 61379733
4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarbothioamide
CID 63094186
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-fluoro-2-(trifluoromethyl)benzene
CID 89437014
1-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-(bromomethyl)-4-chlorobenzene
CID 89437755
1,5-bis[5-chloro-2-(trifluoromethoxy)phenyl]pentan-3-one
CID 175245898

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene (CID 135154916) is 2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene is FC(F)(F)COc1ccc(Cl)cc1CCBr.
What is the InChIKey of 2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is NFKMDNDYXSBPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClF3O/c11-4-3-7-5-8(12)1-2-9(7)16-6-10(13,14)15/h1-2,5H,3-4,6H2.
What are the key properties of 2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene?
2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 317.53 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 135154916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).