2-fluoro-6,7-dihydro-1,3-benzoxazole

C7H6FNO — CID 144710526

IUPAC2-fluoro-6,7-dihydro-1,3-benzoxazole
SMILESFc1nc2c(o1)CCC=C2
InChIInChI=1S/C7H6FNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1,3H,2,4H2
InChIKeyBRILAQLUPOIQDF-UHFFFAOYSA-N
MW139.13 g/mol
LogP1.77
Rot. Bonds

About 2-fluoro-6,7-dihydro-1,3-benzoxazole

2-fluoro-6,7-dihydro-1,3-benzoxazole (PubChem CID 144710526) has the molecular formula C7H6FNO and a molecular weight of 139.13 g/mol. Its IUPAC name is 2-fluoro-6,7-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-fluoro-6,7-dihydro-1,3-benzoxazole
PubChem CID144710526
Molecular FormulaC7H6FNO
Molecular Weight139.13 g/mol
Exact Mass139.04
IUPAC Name2-fluoro-6,7-dihydro-1,3-benzoxazole
SMILESFc1nc2c(o1)CCC=C2
InChIInChI=1S/C7H6FNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1,3H,2,4H2
InChIKeyBRILAQLUPOIQDF-UHFFFAOYSA-N
XLogP1.77
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Fluoro-2-methyl-6,7-dihydro-1,3-benzoxazole
CID 142292439
2-Ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole
CID 142292476
Ethane;2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole
CID 142292477
2-Methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole
CID 142292478
6,7-Dihydro-1,3-benzoxazole
CID 20558214
2-chloro-7H-1,3-benzoxazol-6-one
CID 70465359
2,6-Dimethyl-6,7-dihydro-1,3-benzoxazole
CID 90363971
2,5-Dimethyl-6,7-dihydro-1,3-benzoxazole
CID 90363986
2-(Chloromethyl)-6,7-dihydro-1,3-benzoxazole
CID 122579133
2-Ethyl-6,7-dihydro-1,3-benzoxazole
CID 123666826
7-Iodo-6,7-dihydro-1,3-benzoxazole
CID 130369920
6-Chloro-2-methyl-6,7-dihydro-1,3-benzoxazole
CID 137467893

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6,7-dihydro-1,3-benzoxazole?
The IUPAC name of 2-fluoro-6,7-dihydro-1,3-benzoxazole (CID 144710526) is 2-fluoro-6,7-dihydro-1,3-benzoxazole.
What is the SMILES notation for 2-fluoro-6,7-dihydro-1,3-benzoxazole?
The canonical SMILES for 2-fluoro-6,7-dihydro-1,3-benzoxazole is Fc1nc2c(o1)CCC=C2.
What is the InChIKey of 2-fluoro-6,7-dihydro-1,3-benzoxazole?
The InChIKey is BRILAQLUPOIQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1,3H,2,4H2.
What are the key properties of 2-fluoro-6,7-dihydro-1,3-benzoxazole?
2-fluoro-6,7-dihydro-1,3-benzoxazole has a molecular weight of 139.13 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6,7-dihydro-1,3-benzoxazole is sourced from PubChem (CID 144710526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).