2-chloro-6-(2-fluoroethoxy)-1,3-benzoxazole

C9H7ClFNO2 — CID 170558440

IUPAC2-chloro-6-(2-fluoroethoxy)-1,3-benzoxazole
SMILESFCCOc1ccc2nc(Cl)oc2c1
InChIInChI=1S/C9H7ClFNO2/c10-9-12-7-2-1-6(13-4-3-11)5-8(7)14-9/h1-2,5H,3-4H2
InChIKeyYBNADJDQDDVTDZ-UHFFFAOYSA-N
MW215.61 g/mol
LogP2.83
Rot. Bonds3

About 2-chloro-6-(2-fluoroethoxy)-1,3-benzoxazole

2-chloro-6-(2-fluoroethoxy)-1,3-benzoxazole (PubChem CID 170558440) has the molecular formula C9H7ClFNO2 and a molecular weight of 215.61 g/mol. Its IUPAC name is 2-chloro-6-(2-fluoroethoxy)-1,3-benzoxazole.

Molecular Properties

Compound Name2-chloro-6-(2-fluoroethoxy)-1,3-benzoxazole
PubChem CID170558440
Molecular FormulaC9H7ClFNO2
Molecular Weight215.61 g/mol
Exact Mass215.01
IUPAC Name2-chloro-6-(2-fluoroethoxy)-1,3-benzoxazole
SMILESFCCOc1ccc2nc(Cl)oc2c1
InChIInChI=1S/C9H7ClFNO2/c10-9-12-7-2-1-6(13-4-3-11)5-8(7)14-9/h1-2,5H,3-4H2
InChIKeyYBNADJDQDDVTDZ-UHFFFAOYSA-N
XLogP2.83
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.61
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(2,2,2-trifluoroethoxy)-1,3-benzoxazole
CID 155083784
4-[6-(3-fluoropropoxy)-1,3-benzoxazol-2-yl]-N-methylaniline
CID 144970941
6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine
CID 59282924
5-[(E)-2-[6-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]ethenyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 10404577
2-chloro-6-methyl-1,3-benzoxazole
CID 10678666
4-[(E)-2-[6-(4-fluorobutoxy)-1,3-benzoxazol-2-yl]ethenyl]-N-methylaniline
CID 142842122
3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol
CID 117098273
4-[2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]ethoxy]aniline
CID 117098351
6-(3-aminopropoxy)-N-propyl-1,3-benzoxazol-2-amine
CID 166884339
3-[2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]ethoxy]aniline
CID 117098348
6-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]-1,3-benzoxazole
CID 142715895
4-(6-butoxy-1,3-benzoxazol-2-yl)aniline
CID 129018379

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-fluoroethoxy)-1,3-benzoxazole?
The IUPAC name of 2-chloro-6-(2-fluoroethoxy)-1,3-benzoxazole (CID 170558440) is 2-chloro-6-(2-fluoroethoxy)-1,3-benzoxazole.
What is the SMILES notation for 2-chloro-6-(2-fluoroethoxy)-1,3-benzoxazole?
The canonical SMILES for 2-chloro-6-(2-fluoroethoxy)-1,3-benzoxazole is FCCOc1ccc2nc(Cl)oc2c1.
What is the InChIKey of 2-chloro-6-(2-fluoroethoxy)-1,3-benzoxazole?
The InChIKey is YBNADJDQDDVTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNO2/c10-9-12-7-2-1-6(13-4-3-11)5-8(7)14-9/h1-2,5H,3-4H2.
What are the key properties of 2-chloro-6-(2-fluoroethoxy)-1,3-benzoxazole?
2-chloro-6-(2-fluoroethoxy)-1,3-benzoxazole has a molecular weight of 215.61 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-fluoroethoxy)-1,3-benzoxazole is sourced from PubChem (CID 170558440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).