6-chloro-5-fluoro-2-propan-2-yl-1,3-benzoxazole

C10H9ClFNO — CID 82230662

IUPAC6-chloro-5-fluoro-2-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1nc2cc(F)c(Cl)cc2o1
InChIInChI=1S/C10H9ClFNO/c1-5(2)10-13-8-4-7(12)6(11)3-9(8)14-10/h3-5H,1-2H3
InChIKeyYLGPCSHRDTVXOO-UHFFFAOYSA-N
MW213.64 g/mol
LogP3.74
Rot. Bonds1

About 6-chloro-5-fluoro-2-propan-2-yl-1,3-benzoxazole

6-chloro-5-fluoro-2-propan-2-yl-1,3-benzoxazole (PubChem CID 82230662) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is 6-chloro-5-fluoro-2-propan-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-5-fluoro-2-propan-2-yl-1,3-benzoxazole
PubChem CID82230662
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name6-chloro-5-fluoro-2-propan-2-yl-1,3-benzoxazole
SMILESCC(C)c1nc2cc(F)c(Cl)cc2o1
InChIInChI=1S/C10H9ClFNO/c1-5(2)10-13-8-4-7(12)6(11)3-9(8)14-10/h3-5H,1-2H3
InChIKeyYLGPCSHRDTVXOO-UHFFFAOYSA-N
XLogP3.74
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-2-propan-2-yl-1,3-benzoxazole?
The IUPAC name of 6-chloro-5-fluoro-2-propan-2-yl-1,3-benzoxazole (CID 82230662) is 6-chloro-5-fluoro-2-propan-2-yl-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-5-fluoro-2-propan-2-yl-1,3-benzoxazole?
The canonical SMILES for 6-chloro-5-fluoro-2-propan-2-yl-1,3-benzoxazole is CC(C)c1nc2cc(F)c(Cl)cc2o1.
What is the InChIKey of 6-chloro-5-fluoro-2-propan-2-yl-1,3-benzoxazole?
The InChIKey is YLGPCSHRDTVXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c1-5(2)10-13-8-4-7(12)6(11)3-9(8)14-10/h3-5H,1-2H3.
What are the key properties of 6-chloro-5-fluoro-2-propan-2-yl-1,3-benzoxazole?
6-chloro-5-fluoro-2-propan-2-yl-1,3-benzoxazole has a molecular weight of 213.64 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-2-propan-2-yl-1,3-benzoxazole is sourced from PubChem (CID 82230662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).