2-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-1,3,4-thiadiazole

C9H5BrClFN2OS — CID 80611882

IUPAC2-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-1,3,4-thiadiazole
SMILESFc1ccc(OCc2nnc(Cl)s2)c(Br)c1
InChIInChI=1S/C9H5BrClFN2OS/c10-6-3-5(12)1-2-7(6)15-4-8-13-14-9(11)16-8/h1-3H,4H2
InChIKeyQNKGVPANLMEFCL-UHFFFAOYSA-N
MW323.57 g/mol
LogP3.67
Rot. Bonds3

About 2-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-1,3,4-thiadiazole

2-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-1,3,4-thiadiazole (PubChem CID 80611882) has the molecular formula C9H5BrClFN2OS and a molecular weight of 323.57 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-1,3,4-thiadiazole
PubChem CID80611882
Molecular FormulaC9H5BrClFN2OS
Molecular Weight323.57 g/mol
Exact Mass321.90
IUPAC Name2-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-1,3,4-thiadiazole
SMILESFc1ccc(OCc2nnc(Cl)s2)c(Br)c1
InChIInChI=1S/C9H5BrClFN2OS/c10-6-3-5(12)1-2-7(6)15-4-8-13-14-9(11)16-8/h1-3H,4H2
InChIKeyQNKGVPANLMEFCL-UHFFFAOYSA-N
XLogP3.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.57
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(2-chloro-4-fluorophenoxy)methyl]-1,3,4-thiadiazole
CID 80606949
2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole
CID 80609217
2-bromo-1-[(3-chlorophenyl)methoxy]-4-fluorobenzene
CID 28548362
2-chloro-5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,3,4-thiadiazole
CID 80606530
5-[(2-bromo-4-chlorophenoxy)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80608490
2-[(4-bromo-3-methylphenoxy)methyl]-5-chloro-1,3,4-thiadiazole
CID 83133606
[5-[(2-bromo-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764417
2-chloro-5-[(2,6-difluorophenoxy)methyl]-1,3,4-thiadiazole
CID 81269582
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
CID 55219072
2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene
CID 29278100
5-[(2-chloro-5-fluorophenoxy)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 114264315
5-[(2-bromo-5-fluorophenoxy)methyl]-2-chloro-1,3-thiazole
CID 81496091

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-1,3,4-thiadiazole?
The IUPAC name of 2-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-1,3,4-thiadiazole (CID 80611882) is 2-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-1,3,4-thiadiazole?
The canonical SMILES for 2-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-1,3,4-thiadiazole is Fc1ccc(OCc2nnc(Cl)s2)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-1,3,4-thiadiazole?
The InChIKey is QNKGVPANLMEFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClFN2OS/c10-6-3-5(12)1-2-7(6)15-4-8-13-14-9(11)16-8/h1-3H,4H2.
What are the key properties of 2-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-1,3,4-thiadiazole?
2-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-1,3,4-thiadiazole has a molecular weight of 323.57 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenoxy)methyl]-5-chloro-1,3,4-thiadiazole is sourced from PubChem (CID 80611882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).