6-fluoro-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde

C19H12FNO2 — CID 174512180

IUPAC6-fluoro-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde
SMILESO=CC1OC(c2cccc3ccccc23)=Nc2ccc(F)cc21
InChIInChI=1S/C19H12FNO2/c20-13-8-9-17-16(10-13)18(11-22)23-19(21-17)15-7-3-5-12-4-1-2-6-14(12)15/h1-11,18H
InChIKeyNEMQSBDTSDXKAL-UHFFFAOYSA-N
MW305.31 g/mol
LogP4.33
Rot. Bonds2

About 6-fluoro-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde

6-fluoro-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde (PubChem CID 174512180) has the molecular formula C19H12FNO2 and a molecular weight of 305.31 g/mol. Its IUPAC name is 6-fluoro-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde
PubChem CID174512180
Molecular FormulaC19H12FNO2
Molecular Weight305.31 g/mol
Exact Mass305.09
IUPAC Name6-fluoro-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde
SMILESO=CC1OC(c2cccc3ccccc23)=Nc2ccc(F)cc21
InChIInChI=1S/C19H12FNO2/c20-13-8-9-17-16(10-13)18(11-22)23-19(21-17)15-7-3-5-12-4-1-2-6-14(12)15/h1-11,18H
InChIKeyNEMQSBDTSDXKAL-UHFFFAOYSA-N
XLogP4.33
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.33
H-Bond Donors ≤ 50
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 6-fluoro-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde?
The IUPAC name of 6-fluoro-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde (CID 174512180) is 6-fluoro-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde.
What is the SMILES notation for 6-fluoro-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde?
The canonical SMILES for 6-fluoro-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde is O=CC1OC(c2cccc3ccccc23)=Nc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde?
The InChIKey is NEMQSBDTSDXKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNO2/c20-13-8-9-17-16(10-13)18(11-22)23-19(21-17)15-7-3-5-12-4-1-2-6-14(12)15/h1-11,18H.
What are the key properties of 6-fluoro-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde?
6-fluoro-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde has a molecular weight of 305.31 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-naphthalen-1-yl-4H-3,1-benzoxazine-4-carbaldehyde is sourced from PubChem (CID 174512180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).