(4-fluoro-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine

C6H10FNO — CID 155973045

IUPAC(4-fluoro-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine
SMILESNCC12CC(F)(CO1)C2
InChIInChI=1S/C6H10FNO/c7-5-1-6(2-5,3-8)9-4-5/h1-4,8H2
InChIKeyKMVTYGKTQCYQCX-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.22
Rot. Bonds1

About (4-fluoro-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine

(4-fluoro-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine (PubChem CID 155973045) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is (4-fluoro-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine
PubChem CID155973045
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name(4-fluoro-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine
SMILESNCC12CC(F)(CO1)C2
InChIInChI=1S/C6H10FNO/c7-5-1-6(2-5,3-8)9-4-5/h1-4,8H2
InChIKeyKMVTYGKTQCYQCX-UHFFFAOYSA-N
XLogP0.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-phenyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine;hydrochloride
CID 155943666
2,5-bis(aminomethyl)-1,4-dioxane-2,5-diamine
CID 163601961
2,2-difluorooxirane
CID 19829575
[(2S)-2-fluorooxiran-2-yl]methanol
CID 141069449
[3-(aminomethyl)-2,2-dibromooxetan-3-yl]methanamine
CID 137347150
1,3-difluorobicyclo[1.1.1]pentane
CID 86129482
1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexane-4-carbonitrile
CID 166147687
(4-amino-2-oxabicyclo[2.2.1]heptan-1-yl)methanol
CID 154853019
[(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride
CID 168963553
[3-(difluoromethyl)oxetan-3-yl]methanamine
CID 105427900
7-oxabicyclo[2.2.1]heptan-1-ylmethanamine
CID 125458515
[3-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanamine
CID 176544735

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine?
The IUPAC name of (4-fluoro-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine (CID 155973045) is (4-fluoro-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine.
What is the SMILES notation for (4-fluoro-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine?
The canonical SMILES for (4-fluoro-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine is NCC12CC(F)(CO1)C2.
What is the InChIKey of (4-fluoro-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine?
The InChIKey is KMVTYGKTQCYQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c7-5-1-6(2-5,3-8)9-4-5/h1-4,8H2.
What are the key properties of (4-fluoro-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine?
(4-fluoro-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine has a molecular weight of 131.15 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine is sourced from PubChem (CID 155973045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).