[3-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine

C7H11F2NO — CID 176544735

IUPAC[3-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine
SMILESNCC12CC(C1)C(C(F)F)O2
InChIInChI=1S/C7H11F2NO/c8-6(9)5-4-1-7(2-4,3-10)11-5/h4-6H,1-3,10H2
InChIKeyQXICIFVPTWWNDL-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.76
Rot. Bonds2

About [3-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine

[3-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine (PubChem CID 176544735) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is [3-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine.

Molecular Properties

Compound Name[3-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine
PubChem CID176544735
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name[3-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine
SMILESNCC12CC(C1)C(C(F)F)O2
InChIInChI=1S/C7H11F2NO/c8-6(9)5-4-1-7(2-4,3-10)11-5/h4-6H,1-3,10H2
InChIKeyQXICIFVPTWWNDL-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine?
The IUPAC name of [3-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine (CID 176544735) is [3-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine.
What is the SMILES notation for [3-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine?
The canonical SMILES for [3-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine is NCC12CC(C1)C(C(F)F)O2.
What is the InChIKey of [3-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine?
The InChIKey is QXICIFVPTWWNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c8-6(9)5-4-1-7(2-4,3-10)11-5/h4-6H,1-3,10H2.
What are the key properties of [3-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine?
[3-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine has a molecular weight of 163.17 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine is sourced from PubChem (CID 176544735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).