6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole

C12H13ClFNO — CID 82231943

IUPAC6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole
SMILESCC(C)(C)Cc1nc2cc(F)c(Cl)cc2o1
InChIInChI=1S/C12H13ClFNO/c1-12(2,3)6-11-15-9-5-8(14)7(13)4-10(9)16-11/h4-5H,6H2,1-3H3
InChIKeyGOYLSGVORSLNON-UHFFFAOYSA-N
MW241.69 g/mol
LogP4.21
Rot. Bonds1

About 6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole

6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole (PubChem CID 82231943) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole
PubChem CID82231943
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole
SMILESCC(C)(C)Cc1nc2cc(F)c(Cl)cc2o1
InChIInChI=1S/C12H13ClFNO/c1-12(2,3)6-11-15-9-5-8(14)7(13)4-10(9)16-11/h4-5H,6H2,1-3H3
InChIKeyGOYLSGVORSLNON-UHFFFAOYSA-N
XLogP4.21
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylpropyl)-5,6-difluoro-1,3-benzoxazole
CID 82231164
6-chloro-2-(2,2-dimethylpropyl)-5-methyl-1,3-benzoxazole
CID 82231776
5-chloro-2-(2,2-dimethylpropyl)-1,3-benzoxazol-6-amine
CID 115539596
N-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 82720453
2,6-dichloro-5-fluoro-1,3-benzoxazole
CID 138692253
N-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 82719835
1-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)-3-methylbutan-2-amine
CID 82720461
4-[1-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)propan-2-yl]aniline
CID 104503233
N-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]-2-methoxyethanamine
CID 82720961
(6-chloro-5-fluoro-1,3-benzoxazol-2-yl)hydrazine
CID 82230184
3-(5,6-dichloro-1,3-benzoxazol-2-yl)propan-1-amine
CID 82232079
5-chloro-6-fluoro-2-(2-piperidin-4-ylethyl)-1,3-benzoxazole
CID 82720864

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole?
The IUPAC name of 6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole (CID 82231943) is 6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole?
The canonical SMILES for 6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole is CC(C)(C)Cc1nc2cc(F)c(Cl)cc2o1.
What is the InChIKey of 6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole?
The InChIKey is GOYLSGVORSLNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c1-12(2,3)6-11-15-9-5-8(14)7(13)4-10(9)16-11/h4-5H,6H2,1-3H3.
What are the key properties of 6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole?
6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole has a molecular weight of 241.69 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,2-dimethylpropyl)-5-fluoro-1,3-benzoxazole is sourced from PubChem (CID 82231943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).