[3-(2,5-difluorophenyl)oxetan-3-yl]methanamine

C10H11F2NO — CID 83485213

IUPAC[3-(2,5-difluorophenyl)oxetan-3-yl]methanamine
SMILESNCC1(c2cc(F)ccc2F)COC1
InChIInChI=1S/C10H11F2NO/c11-7-1-2-9(12)8(3-7)10(4-13)5-14-6-10/h1-3H,4-6,13H2
InChIKeyKKMVAXAOORWGSM-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.19
Rot. Bonds2

About [3-(2,5-difluorophenyl)oxetan-3-yl]methanamine

[3-(2,5-difluorophenyl)oxetan-3-yl]methanamine (PubChem CID 83485213) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is [3-(2,5-difluorophenyl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2,5-difluorophenyl)oxetan-3-yl]methanamine
PubChem CID83485213
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name[3-(2,5-difluorophenyl)oxetan-3-yl]methanamine
SMILESNCC1(c2cc(F)ccc2F)COC1
InChIInChI=1S/C10H11F2NO/c11-7-1-2-9(12)8(3-7)10(4-13)5-14-6-10/h1-3H,4-6,13H2
InChIKeyKKMVAXAOORWGSM-UHFFFAOYSA-N
XLogP1.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine
CID 116829642
1-[3-(2,5-difluorophenyl)oxetan-3-yl]-2-methylpropan-2-amine
CID 116869981
2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile
CID 116873253
[3-(2,4-difluorophenyl)oxetan-3-yl]methanol
CID 116829723
4-[3-(2,5-difluorophenyl)oxetan-3-yl]aniline
CID 116871204
4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine
CID 116871274
3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116870264
3-(chloromethyl)-3-(2-fluoro-5-methylphenyl)oxetane
CID 156576161
1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869258
[1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874811
2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline
CID 117047242
2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-difluorophenyl)oxetan-3-yl]methanamine?
The IUPAC name of [3-(2,5-difluorophenyl)oxetan-3-yl]methanamine (CID 83485213) is [3-(2,5-difluorophenyl)oxetan-3-yl]methanamine.
What is the SMILES notation for [3-(2,5-difluorophenyl)oxetan-3-yl]methanamine?
The canonical SMILES for [3-(2,5-difluorophenyl)oxetan-3-yl]methanamine is NCC1(c2cc(F)ccc2F)COC1.
What is the InChIKey of [3-(2,5-difluorophenyl)oxetan-3-yl]methanamine?
The InChIKey is KKMVAXAOORWGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-7-1-2-9(12)8(3-7)10(4-13)5-14-6-10/h1-3H,4-6,13H2.
What are the key properties of [3-(2,5-difluorophenyl)oxetan-3-yl]methanamine?
[3-(2,5-difluorophenyl)oxetan-3-yl]methanamine has a molecular weight of 199.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-difluorophenyl)oxetan-3-yl]methanamine is sourced from PubChem (CID 83485213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).