3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine

C9H10FNO — CID 84652608

IUPAC3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFCC1COc2ccccc2N1
InChIInChI=1S/C9H10FNO/c10-5-7-6-12-9-4-2-1-3-8(9)11-7/h1-4,7,11H,5-6H2
InChIKeyKFQCMVRUSXLWGA-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.83
Rot. Bonds1

About 3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine

3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 84652608) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID84652608
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFCC1COc2ccccc2N1
InChIInChI=1S/C9H10FNO/c10-5-7-6-12-9-4-2-1-3-8(9)11-7/h1-4,7,11H,5-6H2
InChIKeyKFQCMVRUSXLWGA-UHFFFAOYSA-N
XLogP1.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 84652608) is 3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine is FCC1COc2ccccc2N1.
What is the InChIKey of 3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is KFQCMVRUSXLWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-5-7-6-12-9-4-2-1-3-8(9)11-7/h1-4,7,11H,5-6H2.
What are the key properties of 3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 167.18 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 84652608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).