6-bromo-3-(chloromethyl)-2-fluorophenol

C7H5BrClFO — CID 131216679

IUPAC6-bromo-3-(chloromethyl)-2-fluorophenol
SMILESOc1c(Br)ccc(CCl)c1F
InChIInChI=1S/C7H5BrClFO/c8-5-2-1-4(3-9)6(10)7(5)11/h1-2,11H,3H2
InChIKeyLENLAJHOVCEPPS-UHFFFAOYSA-N
MW239.47 g/mol
LogP3.03
Rot. Bonds1

About 6-bromo-3-(chloromethyl)-2-fluorophenol

6-bromo-3-(chloromethyl)-2-fluorophenol (PubChem CID 131216679) has the molecular formula C7H5BrClFO and a molecular weight of 239.47 g/mol. Its IUPAC name is 6-bromo-3-(chloromethyl)-2-fluorophenol.

Molecular Properties

Compound Name6-bromo-3-(chloromethyl)-2-fluorophenol
PubChem CID131216679
Molecular FormulaC7H5BrClFO
Molecular Weight239.47 g/mol
Exact Mass237.92
IUPAC Name6-bromo-3-(chloromethyl)-2-fluorophenol
SMILESOc1c(Br)ccc(CCl)c1F
InChIInChI=1S/C7H5BrClFO/c8-5-2-1-4(3-9)6(10)7(5)11/h1-2,11H,3H2
InChIKeyLENLAJHOVCEPPS-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-6-bromo-2-fluorophenol
CID 118845822
3-bromo-6-(bromomethyl)-2-fluorophenol
CID 130820580
1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene
CID 130877169
ethyl 3-bromo-6-(chloromethyl)-2-fluorobenzoate
CID 166074309
3-bromo-6-fluorobenzene-1,2-diol
CID 45093034
(4-bromo-2-chloro-3-fluorophenyl)methanol
CID 117351692
1,3-dibromo-2-chloro-4-(chloromethyl)benzene
CID 171009765
3-bromo-6-chloro-2-fluorophenol
CID 66601002
6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenol
CID 59299263
1-(chloromethyl)-2-fluoro-3,4-diiodobenzene
CID 130882439
4-(chloromethyl)-3-fluorophenol
CID 54246792
1-(chloromethyl)-2,3-difluoro-4-(trifluoromethyl)benzene
CID 121234690

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(chloromethyl)-2-fluorophenol?
The IUPAC name of 6-bromo-3-(chloromethyl)-2-fluorophenol (CID 131216679) is 6-bromo-3-(chloromethyl)-2-fluorophenol.
What is the SMILES notation for 6-bromo-3-(chloromethyl)-2-fluorophenol?
The canonical SMILES for 6-bromo-3-(chloromethyl)-2-fluorophenol is Oc1c(Br)ccc(CCl)c1F.
What is the InChIKey of 6-bromo-3-(chloromethyl)-2-fluorophenol?
The InChIKey is LENLAJHOVCEPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO/c8-5-2-1-4(3-9)6(10)7(5)11/h1-2,11H,3H2.
What are the key properties of 6-bromo-3-(chloromethyl)-2-fluorophenol?
6-bromo-3-(chloromethyl)-2-fluorophenol has a molecular weight of 239.47 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(chloromethyl)-2-fluorophenol is sourced from PubChem (CID 131216679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).