[3-(difluoromethyl)oxetan-3-yl]methanamine

C5H9F2NO — CID 105427900

IUPAC[3-(difluoromethyl)oxetan-3-yl]methanamine
SMILESNCC1(C(F)F)COC1
InChIInChI=1S/C5H9F2NO/c6-4(7)5(1-8)2-9-3-5/h4H,1-3,8H2
InChIKeyNYNCJBLFQIECEU-UHFFFAOYSA-N
MW137.13 g/mol
LogP0.23
Rot. Bonds2

About [3-(difluoromethyl)oxetan-3-yl]methanamine

[3-(difluoromethyl)oxetan-3-yl]methanamine (PubChem CID 105427900) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is [3-(difluoromethyl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(difluoromethyl)oxetan-3-yl]methanamine
PubChem CID105427900
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name[3-(difluoromethyl)oxetan-3-yl]methanamine
SMILESNCC1(C(F)F)COC1
InChIInChI=1S/C5H9F2NO/c6-4(7)5(1-8)2-9-3-5/h4H,1-3,8H2
InChIKeyNYNCJBLFQIECEU-UHFFFAOYSA-N
XLogP0.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(difluoromethyl)oxan-4-yl]methanamine
CID 130738015
2-[3-(difluoromethyl)oxolan-3-yl]ethanamine
CID 115013006
(3-butan-2-yloxetan-3-yl)methanamine
CID 139418018
1-[3-(aminomethyl)oxetan-3-yl]-N,2-dimethylpropan-1-amine
CID 116959550
[3-(aminomethyl)oxetan-3-yl]-cyclopentylmethanamine
CID 116945013
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethylbutan-1-amine
CID 116913012
[3-(aminomethyl)oxetan-3-yl]-(2-fluorophenyl)methanamine
CID 116944998
1-[3-(aminomethyl)oxetan-3-yl]-1-(4-ethylphenyl)-N,N-dimethylmethanamine
CID 116913020
[3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 116944912
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(4-propylphenyl)methanamine
CID 116913035
1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116959571
[3-(aminomethyl)oxetan-3-yl]-(4-bromothiophen-2-yl)methanamine
CID 116944962

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)oxetan-3-yl]methanamine?
The IUPAC name of [3-(difluoromethyl)oxetan-3-yl]methanamine (CID 105427900) is [3-(difluoromethyl)oxetan-3-yl]methanamine.
What is the SMILES notation for [3-(difluoromethyl)oxetan-3-yl]methanamine?
The canonical SMILES for [3-(difluoromethyl)oxetan-3-yl]methanamine is NCC1(C(F)F)COC1.
What is the InChIKey of [3-(difluoromethyl)oxetan-3-yl]methanamine?
The InChIKey is NYNCJBLFQIECEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-4(7)5(1-8)2-9-3-5/h4H,1-3,8H2.
What are the key properties of [3-(difluoromethyl)oxetan-3-yl]methanamine?
[3-(difluoromethyl)oxetan-3-yl]methanamine has a molecular weight of 137.13 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)oxetan-3-yl]methanamine is sourced from PubChem (CID 105427900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).