6-fluoro-N-methyl-2,3-dihydrochromen-4-imine

C10H10FNO — CID 22944343

IUPAC6-fluoro-N-methyl-2,3-dihydrochromen-4-imine
SMILESC/N=C1\CCOc2ccc(F)cc21
InChIInChI=1S/C10H10FNO/c1-12-9-4-5-13-10-3-2-7(11)6-8(9)10/h2-3,6H,4-5H2,1H3/b12-9+
InChIKeyKWZNDWNHKHBGHP-FMIVXFBMSA-N
MW179.19 g/mol
LogP2.03
Rot. Bonds

About 6-fluoro-N-methyl-2,3-dihydrochromen-4-imine

6-fluoro-N-methyl-2,3-dihydrochromen-4-imine (PubChem CID 22944343) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 6-fluoro-N-methyl-2,3-dihydrochromen-4-imine.

Molecular Properties

Compound Name6-fluoro-N-methyl-2,3-dihydrochromen-4-imine
PubChem CID22944343
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name6-fluoro-N-methyl-2,3-dihydrochromen-4-imine
SMILESC/N=C1\CCOc2ccc(F)cc21
InChIInChI=1S/C10H10FNO/c1-12-9-4-5-13-10-3-2-7(11)6-8(9)10/h2-3,6H,4-5H2,1H3/b12-9+
InChIKeyKWZNDWNHKHBGHP-FMIVXFBMSA-N
XLogP2.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-2,3-dihydrochromen-4-imine?
The IUPAC name of 6-fluoro-N-methyl-2,3-dihydrochromen-4-imine (CID 22944343) is 6-fluoro-N-methyl-2,3-dihydrochromen-4-imine.
What is the SMILES notation for 6-fluoro-N-methyl-2,3-dihydrochromen-4-imine?
The canonical SMILES for 6-fluoro-N-methyl-2,3-dihydrochromen-4-imine is C/N=C1\CCOc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-N-methyl-2,3-dihydrochromen-4-imine?
The InChIKey is KWZNDWNHKHBGHP-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H10FNO/c1-12-9-4-5-13-10-3-2-7(11)6-8(9)10/h2-3,6H,4-5H2,1H3/b12-9+.
What are the key properties of 6-fluoro-N-methyl-2,3-dihydrochromen-4-imine?
6-fluoro-N-methyl-2,3-dihydrochromen-4-imine has a molecular weight of 179.19 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-2,3-dihydrochromen-4-imine is sourced from PubChem (CID 22944343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).