(4-aminooxan-4-yl)-(3-fluorophenyl)methanone

C12H14FNO2 — CID 116604684

IUPAC(4-aminooxan-4-yl)-(3-fluorophenyl)methanone
SMILESNC1(C(=O)c2cccc(F)c2)CCOCC1
InChIInChI=1S/C12H14FNO2/c13-10-3-1-2-9(8-10)11(15)12(14)4-6-16-7-5-12/h1-3,8H,4-7,14H2
InChIKeyLBXKQBYMFGGAGI-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.52
Rot. Bonds2

About (4-aminooxan-4-yl)-(3-fluorophenyl)methanone

(4-aminooxan-4-yl)-(3-fluorophenyl)methanone (PubChem CID 116604684) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-(3-fluorophenyl)methanone
PubChem CID116604684
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(4-aminooxan-4-yl)-(3-fluorophenyl)methanone
SMILESNC1(C(=O)c2cccc(F)c2)CCOCC1
InChIInChI=1S/C12H14FNO2/c13-10-3-1-2-9(8-10)11(15)12(14)4-6-16-7-5-12/h1-3,8H,4-7,14H2
InChIKeyLBXKQBYMFGGAGI-UHFFFAOYSA-N
XLogP1.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopentyl)-(3-fluorophenyl)methanone
CID 82283406
(4-aminooxan-4-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116604699
1-(4-aminooxan-4-yl)-2-(3-fluorophenyl)ethanone
CID 116604489
(4-aminooxan-4-yl)-(3,4-dimethylphenyl)methanone
CID 116604621
(1-amino-3-methylcyclohexyl)-(3-fluorophenyl)methanone
CID 116579350
methyl 4-amino-N-[1-(3-fluorophenyl)-2-methylprop-1-enyl]oxane-4-carboximidate
CID 155718410
N-[4-(chloromethyl)oxan-4-yl]-3-fluorobenzamide
CID 106300657
1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79044890
(4-aminooxan-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 116604587
1-(4-aminooxan-4-yl)-2-(2,5-difluorophenyl)ethanone
CID 116604564
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892785

Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-(3-fluorophenyl)methanone?
The IUPAC name of (4-aminooxan-4-yl)-(3-fluorophenyl)methanone (CID 116604684) is (4-aminooxan-4-yl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-(3-fluorophenyl)methanone?
The canonical SMILES for (4-aminooxan-4-yl)-(3-fluorophenyl)methanone is NC1(C(=O)c2cccc(F)c2)CCOCC1.
What is the InChIKey of (4-aminooxan-4-yl)-(3-fluorophenyl)methanone?
The InChIKey is LBXKQBYMFGGAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-3-1-2-9(8-10)11(15)12(14)4-6-16-7-5-12/h1-3,8H,4-7,14H2.
What are the key properties of (4-aminooxan-4-yl)-(3-fluorophenyl)methanone?
(4-aminooxan-4-yl)-(3-fluorophenyl)methanone has a molecular weight of 223.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 116604684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).