2-bromo-6-chloro-4-(1-fluoroethyl)phenol

C8H7BrClFO — CID 84707949

IUPAC2-bromo-6-chloro-4-(1-fluoroethyl)phenol
SMILESCC(F)c1cc(Cl)c(O)c(Br)c1
InChIInChI=1S/C8H7BrClFO/c1-4(11)5-2-6(9)8(12)7(10)3-5/h2-4,12H,1H3
InChIKeyGFBXVHSTZAPTDU-UHFFFAOYSA-N
MW253.50 g/mol
LogP3.84
Rot. Bonds1

About 2-bromo-6-chloro-4-(1-fluoroethyl)phenol

2-bromo-6-chloro-4-(1-fluoroethyl)phenol (PubChem CID 84707949) has the molecular formula C8H7BrClFO and a molecular weight of 253.50 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-(1-fluoroethyl)phenol.

Molecular Properties

Compound Name2-bromo-6-chloro-4-(1-fluoroethyl)phenol
PubChem CID84707949
Molecular FormulaC8H7BrClFO
Molecular Weight253.50 g/mol
Exact Mass251.94
IUPAC Name2-bromo-6-chloro-4-(1-fluoroethyl)phenol
SMILESCC(F)c1cc(Cl)c(O)c(Br)c1
InChIInChI=1S/C8H7BrClFO/c1-4(11)5-2-6(9)8(12)7(10)3-5/h2-4,12H,1H3
InChIKeyGFBXVHSTZAPTDU-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-(1-fluoroethyl)phenol?
The IUPAC name of 2-bromo-6-chloro-4-(1-fluoroethyl)phenol (CID 84707949) is 2-bromo-6-chloro-4-(1-fluoroethyl)phenol.
What is the SMILES notation for 2-bromo-6-chloro-4-(1-fluoroethyl)phenol?
The canonical SMILES for 2-bromo-6-chloro-4-(1-fluoroethyl)phenol is CC(F)c1cc(Cl)c(O)c(Br)c1.
What is the InChIKey of 2-bromo-6-chloro-4-(1-fluoroethyl)phenol?
The InChIKey is GFBXVHSTZAPTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClFO/c1-4(11)5-2-6(9)8(12)7(10)3-5/h2-4,12H,1H3.
What are the key properties of 2-bromo-6-chloro-4-(1-fluoroethyl)phenol?
2-bromo-6-chloro-4-(1-fluoroethyl)phenol has a molecular weight of 253.50 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-4-(1-fluoroethyl)phenol is sourced from PubChem (CID 84707949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).