2-fluoro-2-methyl-3,4-dihydro-1,4-benzoxazine-3-carbaldehyde

C10H10FNO2 — CID 174919630

IUPAC2-fluoro-2-methyl-3,4-dihydro-1,4-benzoxazine-3-carbaldehyde
SMILESCC1(F)Oc2ccccc2NC1C=O
InChIInChI=1S/C10H10FNO2/c1-10(11)9(6-13)12-7-4-2-3-5-8(7)14-10/h2-6,9,12H,1H3
InChIKeyOCPNVUZUNGONCU-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.74
Rot. Bonds1

About 2-fluoro-2-methyl-3,4-dihydro-1,4-benzoxazine-3-carbaldehyde

2-fluoro-2-methyl-3,4-dihydro-1,4-benzoxazine-3-carbaldehyde (PubChem CID 174919630) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-fluoro-2-methyl-3,4-dihydro-1,4-benzoxazine-3-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-2-methyl-3,4-dihydro-1,4-benzoxazine-3-carbaldehyde
PubChem CID174919630
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name2-fluoro-2-methyl-3,4-dihydro-1,4-benzoxazine-3-carbaldehyde
SMILESCC1(F)Oc2ccccc2NC1C=O
InChIInChI=1S/C10H10FNO2/c1-10(11)9(6-13)12-7-4-2-3-5-8(7)14-10/h2-6,9,12H,1H3
InChIKeyOCPNVUZUNGONCU-UHFFFAOYSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-3,4-dihydro-1,4-benzoxazine-3-carbaldehyde?
The IUPAC name of 2-fluoro-2-methyl-3,4-dihydro-1,4-benzoxazine-3-carbaldehyde (CID 174919630) is 2-fluoro-2-methyl-3,4-dihydro-1,4-benzoxazine-3-carbaldehyde.
What is the SMILES notation for 2-fluoro-2-methyl-3,4-dihydro-1,4-benzoxazine-3-carbaldehyde?
The canonical SMILES for 2-fluoro-2-methyl-3,4-dihydro-1,4-benzoxazine-3-carbaldehyde is CC1(F)Oc2ccccc2NC1C=O.
What is the InChIKey of 2-fluoro-2-methyl-3,4-dihydro-1,4-benzoxazine-3-carbaldehyde?
The InChIKey is OCPNVUZUNGONCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-10(11)9(6-13)12-7-4-2-3-5-8(7)14-10/h2-6,9,12H,1H3.
What are the key properties of 2-fluoro-2-methyl-3,4-dihydro-1,4-benzoxazine-3-carbaldehyde?
2-fluoro-2-methyl-3,4-dihydro-1,4-benzoxazine-3-carbaldehyde has a molecular weight of 195.19 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-3,4-dihydro-1,4-benzoxazine-3-carbaldehyde is sourced from PubChem (CID 174919630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).