2-bromo-4-(2-chloro-1,1,2-trifluoroethoxy)phenol

C8H5BrClF3O2 — CID 13228506

IUPAC2-bromo-4-(2-chloro-1,1,2-trifluoroethoxy)phenol
SMILESOc1ccc(OC(F)(F)C(F)Cl)cc1Br
InChIInChI=1S/C8H5BrClF3O2/c9-5-3-4(1-2-6(5)14)15-8(12,13)7(10)11/h1-3,7,14H
InChIKeyLPFOVJYSNFRPHU-UHFFFAOYSA-N
MW305.48 g/mol
LogP3.66
Rot. Bonds3

About 2-bromo-4-(2-chloro-1,1,2-trifluoroethoxy)phenol

2-bromo-4-(2-chloro-1,1,2-trifluoroethoxy)phenol (PubChem CID 13228506) has the molecular formula C8H5BrClF3O2 and a molecular weight of 305.48 g/mol. Its IUPAC name is 2-bromo-4-(2-chloro-1,1,2-trifluoroethoxy)phenol.

Molecular Properties

Compound Name2-bromo-4-(2-chloro-1,1,2-trifluoroethoxy)phenol
PubChem CID13228506
Molecular FormulaC8H5BrClF3O2
Molecular Weight305.48 g/mol
Exact Mass303.91
IUPAC Name2-bromo-4-(2-chloro-1,1,2-trifluoroethoxy)phenol
SMILESOc1ccc(OC(F)(F)C(F)Cl)cc1Br
InChIInChI=1S/C8H5BrClF3O2/c9-5-3-4(1-2-6(5)14)15-8(12,13)7(10)11/h1-3,7,14H
InChIKeyLPFOVJYSNFRPHU-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenol
CID 26596565
2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline
CID 44717352
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol
CID 171247817
2,4-bis(2-chloro-1,1,2-trifluoroethoxy)benzoyl chloride
CID 20530643
1-(2-chloro-1,1,2-trifluoroethoxy)-4-(4-methylphenyl)benzene
CID 20668720
4-[4-(2-chloro-1,1,2-trifluoroethoxy)phenoxy]aniline
CID 71414939
4-(2,2-dichloro-1,1-difluoroethoxy)-2-nitrophenol
CID 154400652
2-bromo-4-methoxyphenol;deuterio(fluoro)methane
CID 158022757
2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
CID 83952334
ethyl 5-(2-chloro-1,1,2-trifluoroethoxy)-2-methylbenzoate
CID 59543266
4-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol
CID 66510341
2-(2-chloro-1,1,2-trifluoroethoxy)-4-methoxybenzoyl chloride
CID 154248299

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-chloro-1,1,2-trifluoroethoxy)phenol?
The IUPAC name of 2-bromo-4-(2-chloro-1,1,2-trifluoroethoxy)phenol (CID 13228506) is 2-bromo-4-(2-chloro-1,1,2-trifluoroethoxy)phenol.
What is the SMILES notation for 2-bromo-4-(2-chloro-1,1,2-trifluoroethoxy)phenol?
The canonical SMILES for 2-bromo-4-(2-chloro-1,1,2-trifluoroethoxy)phenol is Oc1ccc(OC(F)(F)C(F)Cl)cc1Br.
What is the InChIKey of 2-bromo-4-(2-chloro-1,1,2-trifluoroethoxy)phenol?
The InChIKey is LPFOVJYSNFRPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF3O2/c9-5-3-4(1-2-6(5)14)15-8(12,13)7(10)11/h1-3,7,14H.
What are the key properties of 2-bromo-4-(2-chloro-1,1,2-trifluoroethoxy)phenol?
2-bromo-4-(2-chloro-1,1,2-trifluoroethoxy)phenol has a molecular weight of 305.48 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-chloro-1,1,2-trifluoroethoxy)phenol is sourced from PubChem (CID 13228506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).