3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride

C9H10ClF2NO — CID 137319852

IUPAC3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride
SMILESCl.NC1(c2ccc(F)c(F)c2)COC1
InChIInChI=1S/C9H9F2NO.ClH/c10-7-2-1-6(3-8(7)11)9(12)4-13-5-9;/h1-3H,4-5,12H2;1H
InChIKeyGVEBGLXADADUNX-UHFFFAOYSA-N
MW221.63 g/mol
LogP1.57
Rot. Bonds1

About 3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride

3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride (PubChem CID 137319852) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride
PubChem CID137319852
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride
SMILESCl.NC1(c2ccc(F)c(F)c2)COC1
InChIInChI=1S/C9H9F2NO.ClH/c10-7-2-1-6(3-8(7)11)9(12)4-13-5-9;/h1-3H,4-5,12H2;1H
InChIKeyGVEBGLXADADUNX-UHFFFAOYSA-N
XLogP1.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.63
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)oxetan-3-amine;hydrochloride
CID 53257004
3-phenyloxetan-3-amine;hydrochloride
CID 53256980
3-[3-(3,4-difluorophenyl)oxetan-3-yl]-2-methylpropan-1-amine
CID 116870264
3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride
CID 134828084
3-[3-(3,4-difluorophenyl)oxetan-3-yl]propanenitrile
CID 116873358
3-(4-phenylphenyl)oxetan-3-amine
CID 116872637
1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile
CID 116874893
3-(4-bromo-2-fluorophenyl)oxetan-3-amine
CID 155977887
1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride
CID 129033048
1-[1-[3-(3,4-difluorophenyl)oxetan-3-yl]cyclopropyl]-N-methylmethanamine
CID 116874854
(3R)-3-(3,4-difluorophenyl)-3-methylmorpholine
CID 96905346
2-[3-(3,4-difluorophenyl)oxetan-3-yl]butanenitrile
CID 116875499

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride?
The IUPAC name of 3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride (CID 137319852) is 3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride.
What is the SMILES notation for 3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride?
The canonical SMILES for 3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride is Cl.NC1(c2ccc(F)c(F)c2)COC1.
What is the InChIKey of 3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride?
The InChIKey is GVEBGLXADADUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO.ClH/c10-7-2-1-6(3-8(7)11)9(12)4-13-5-9;/h1-3H,4-5,12H2;1H.
What are the key properties of 3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride?
3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride has a molecular weight of 221.63 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)oxetan-3-amine;hydrochloride is sourced from PubChem (CID 137319852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).