[3-(2-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

C13H16FNO — CID 117194090

IUPAC[3-(2-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESNCC1C2CCC(O2)C1c1ccccc1F
InChIInChI=1S/C13H16FNO/c14-10-4-2-1-3-8(10)13-9(7-15)11-5-6-12(13)16-11/h1-4,9,11-13H,5-7,15H2
InChIKeyIGBLDLUNHIKPKS-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.05
Rot. Bonds2

About [3-(2-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

[3-(2-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (PubChem CID 117194090) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
PubChem CID117194090
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name[3-(2-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESNCC1C2CCC(O2)C1c1ccccc1F
InChIInChI=1S/C13H16FNO/c14-10-4-2-1-3-8(10)13-9(7-15)11-5-6-12(13)16-11/h1-4,9,11-13H,5-7,15H2
InChIKeyIGBLDLUNHIKPKS-UHFFFAOYSA-N
XLogP2.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]phenol
CID 117194095
[4-(2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine
CID 82158224
[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine;platinum(2+);dichloride
CID 45273960
[3-(2-fluorophenyl)cyclopentyl]methanamine
CID 82281650
1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene
CID 91409982
1-cyclopentyl-2-fluorobenzene
CID 53415938
[(2R,3S)-3-(2-chlorophenyl)-2-bicyclo[2.2.2]octanyl]methanamine
CID 70430746
(1S,2R,6S)-2-(2-fluorophenyl)-3,4,7-trioxabicyclo[4.1.0]heptane
CID 24797239
4-(aminomethyl)-6-(2-fluorophenyl)piperidin-2-one
CID 105479086
1-(2-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 151716486
3-(2-fluorophenyl)oxan-2-one
CID 121220239
(2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane
CID 166436706

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The IUPAC name of [3-(2-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (CID 117194090) is [3-(2-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.
What is the SMILES notation for [3-(2-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The canonical SMILES for [3-(2-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is NCC1C2CCC(O2)C1c1ccccc1F.
What is the InChIKey of [3-(2-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The InChIKey is IGBLDLUNHIKPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-10-4-2-1-3-8(10)13-9(7-15)11-5-6-12(13)16-11/h1-4,9,11-13H,5-7,15H2.
What are the key properties of [3-(2-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
[3-(2-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine has a molecular weight of 221.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is sourced from PubChem (CID 117194090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).