N-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)oxy]methanimine

C10H10FNO2 — CID 174418933

IUPACN-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)oxy]methanimine
SMILESC=NOC1CCOc2ccc(F)cc21
InChIInChI=1S/C10H10FNO2/c1-12-14-10-4-5-13-9-3-2-7(11)6-8(9)10/h2-3,6,10H,1,4-5H2
InChIKeyFDYLFJJMCOHTTL-UHFFFAOYSA-N
MW195.19 g/mol
LogP2.28
Rot. Bonds2

About N-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)oxy]methanimine

N-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)oxy]methanimine (PubChem CID 174418933) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is N-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)oxy]methanimine.

Molecular Properties

Compound NameN-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)oxy]methanimine
PubChem CID174418933
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC NameN-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)oxy]methanimine
SMILESC=NOC1CCOc2ccc(F)cc21
InChIInChI=1S/C10H10FNO2/c1-12-14-10-4-5-13-9-3-2-7(11)6-8(9)10/h2-3,6,10H,1,4-5H2
InChIKeyFDYLFJJMCOHTTL-UHFFFAOYSA-N
XLogP2.28
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate
CID 14986536
(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82241121
7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43511971
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide
CID 110751326
5-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole
CID 16663246
(4aS,11bS)-10-fluoro-4-methyl-2,3,4a,5,6,11b-hexahydro-[1]benzoxepino[5,4-b][1,4]oxazine;hydrochloride
CID 70404477
1,1,1-trifluoro-2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]but-3-en-2-ol
CID 69454121
2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)methyl]pyrrolidine
CID 105496479
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
6-fluoro-4-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromene
CID 163753941
6-fluoro-2H-chromene;6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 159963364
6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461647

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)oxy]methanimine?
The IUPAC name of N-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)oxy]methanimine (CID 174418933) is N-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)oxy]methanimine.
What is the SMILES notation for N-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)oxy]methanimine?
The canonical SMILES for N-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)oxy]methanimine is C=NOC1CCOc2ccc(F)cc21.
What is the InChIKey of N-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)oxy]methanimine?
The InChIKey is FDYLFJJMCOHTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-12-14-10-4-5-13-9-3-2-7(11)6-8(9)10/h2-3,6,10H,1,4-5H2.
What are the key properties of N-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)oxy]methanimine?
N-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)oxy]methanimine has a molecular weight of 195.19 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)oxy]methanimine is sourced from PubChem (CID 174418933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).