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

C9H12FNO — CID 144710525

IUPACethane;2-fluoro-6,7-dihydro-1,3-benzoxazole
SMILESCC.Fc1nc2c(o1)CCC=C2
InChIInChI=1S/C7H6FNO.C2H6/c8-7-9-5-3-1-2-4-6(5)10-7;1-2/h1,3H,2,4H2;1-2H3
InChIKeyRCJVJQWZUNBNEH-UHFFFAOYSA-N
MW169.20 g/mol
LogP2.80
Rot. Bonds

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

ethane;2-fluoro-6,7-dihydro-1,3-benzoxazole (PubChem CID 144710525) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is ethane;2-fluoro-6,7-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Nameethane;2-fluoro-6,7-dihydro-1,3-benzoxazole
PubChem CID144710525
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Nameethane;2-fluoro-6,7-dihydro-1,3-benzoxazole
SMILESCC.Fc1nc2c(o1)CCC=C2
InChIInChI=1S/C7H6FNO.C2H6/c8-7-9-5-3-1-2-4-6(5)10-7;1-2/h1,3H,2,4H2;1-2H3
InChIKeyRCJVJQWZUNBNEH-UHFFFAOYSA-N
XLogP2.80
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 52.80
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
2-Fluoro-6,7-dihydro-1,3-benzoxazole
CID 144710526
6,7-Dihydro-1,3-benzoxazole
CID 20558214
2,6-Dimethyl-6,7-dihydro-1,3-benzoxazole
CID 90363971
2,5-Dimethyl-6,7-dihydro-1,3-benzoxazole
CID 90363986
2,5-Dimethyl-4-pent-2-en-3-yl-1,3-oxazole
CID 90849363
2-methyl-6,6a-dihydro-5aH-cyclopropa[g][1,3]benzoxazole
CID 117634161
2-(Chloromethyl)-6,7-dihydro-1,3-benzoxazole
CID 122579133
2-Ethyl-6,7-dihydro-1,3-benzoxazole
CID 123666826

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-6,7-dihydro-1,3-benzoxazole?
The IUPAC name of ethane;2-fluoro-6,7-dihydro-1,3-benzoxazole (CID 144710525) is ethane;2-fluoro-6,7-dihydro-1,3-benzoxazole.
What is the SMILES notation for ethane;2-fluoro-6,7-dihydro-1,3-benzoxazole?
The canonical SMILES for ethane;2-fluoro-6,7-dihydro-1,3-benzoxazole is CC.Fc1nc2c(o1)CCC=C2.
What is the InChIKey of ethane;2-fluoro-6,7-dihydro-1,3-benzoxazole?
The InChIKey is RCJVJQWZUNBNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO.C2H6/c8-7-9-5-3-1-2-4-6(5)10-7;1-2/h1,3H,2,4H2;1-2H3.
What are the key properties of ethane;2-fluoro-6,7-dihydro-1,3-benzoxazole?
ethane;2-fluoro-6,7-dihydro-1,3-benzoxazole has a molecular weight of 169.20 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-6,7-dihydro-1,3-benzoxazole is sourced from PubChem (CID 144710525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).