[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine

C10H11ClFNO — CID 116829642

IUPAC[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine
SMILESNCC1(c2cc(Cl)ccc2F)COC1
InChIInChI=1S/C10H11ClFNO/c11-7-1-2-9(12)8(3-7)10(4-13)5-14-6-10/h1-3H,4-6,13H2
InChIKeyGPNVLMLSGJPBFQ-UHFFFAOYSA-N
MW215.66 g/mol
LogP1.71
Rot. Bonds2

About [3-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine

[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine (PubChem CID 116829642) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is [3-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine
PubChem CID116829642
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine
SMILESNCC1(c2cc(Cl)ccc2F)COC1
InChIInChI=1S/C10H11ClFNO/c11-7-1-2-9(12)8(3-7)10(4-13)5-14-6-10/h1-3H,4-6,13H2
InChIKeyGPNVLMLSGJPBFQ-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2,5-difluorophenyl)oxetan-3-yl]methanamine
CID 83485213
[1-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874811
3-(chloromethyl)-3-(2-fluoro-5-methylphenyl)oxetane
CID 156576161
1-[3-(2,5-difluorophenyl)oxetan-3-yl]-2-methylpropan-2-amine
CID 116869981
2-(5-chloro-2-fluorophenyl)-2-methyloxirane
CID 82468551
2-[3-(2,5-difluorophenyl)oxetan-3-yl]acetonitrile
CID 116873253
3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine
CID 116870742
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-5-chloro-2-fluoro-N-methylaniline
CID 115249337
[4-(4-chloro-2-methylphenyl)oxan-4-yl]methanamine
CID 83824742
[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
CID 117284015
[1-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methanamine
CID 65353243

Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine?
The IUPAC name of [3-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine (CID 116829642) is [3-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine.
What is the SMILES notation for [3-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine?
The canonical SMILES for [3-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine is NCC1(c2cc(Cl)ccc2F)COC1.
What is the InChIKey of [3-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine?
The InChIKey is GPNVLMLSGJPBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/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-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine?
[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine has a molecular weight of 215.66 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-2-fluorophenyl)oxetan-3-yl]methanamine is sourced from PubChem (CID 116829642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).