2-(2-fluoroethyl)-2H-1,4-benzoxazine

C10H10FNO — CID 141055461

IUPAC2-(2-fluoroethyl)-2H-1,4-benzoxazine
SMILESFCCC1C=Nc2ccccc2O1
InChIInChI=1S/C10H10FNO/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,7-8H,5-6H2
InChIKeyREAQHNOSPYDTCJ-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.51
Rot. Bonds2

About 2-(2-fluoroethyl)-2H-1,4-benzoxazine

2-(2-fluoroethyl)-2H-1,4-benzoxazine (PubChem CID 141055461) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(2-fluoroethyl)-2H-1,4-benzoxazine
PubChem CID141055461
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name2-(2-fluoroethyl)-2H-1,4-benzoxazine
SMILESFCCC1C=Nc2ccccc2O1
InChIInChI=1S/C10H10FNO/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,7-8H,5-6H2
InChIKeyREAQHNOSPYDTCJ-UHFFFAOYSA-N
XLogP2.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-2H-1,4-benzoxazine?
The IUPAC name of 2-(2-fluoroethyl)-2H-1,4-benzoxazine (CID 141055461) is 2-(2-fluoroethyl)-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(2-fluoroethyl)-2H-1,4-benzoxazine?
The canonical SMILES for 2-(2-fluoroethyl)-2H-1,4-benzoxazine is FCCC1C=Nc2ccccc2O1.
What is the InChIKey of 2-(2-fluoroethyl)-2H-1,4-benzoxazine?
The InChIKey is REAQHNOSPYDTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,7-8H,5-6H2.
What are the key properties of 2-(2-fluoroethyl)-2H-1,4-benzoxazine?
2-(2-fluoroethyl)-2H-1,4-benzoxazine has a molecular weight of 179.19 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-2H-1,4-benzoxazine is sourced from PubChem (CID 141055461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).