4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine

C15H19F2NO — CID 116871274

IUPAC4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine
SMILESNC1CCC(C2(c3cc(F)ccc3F)COC2)CC1
InChIInChI=1S/C15H19F2NO/c16-11-3-6-14(17)13(7-11)15(8-19-9-15)10-1-4-12(18)5-2-10/h3,6-7,10,12H,1-2,4-5,8-9,18H2
InChIKeyOYRNBCHFSPDRME-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.75
Rot. Bonds2

About 4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine

4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine (PubChem CID 116871274) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine
PubChem CID116871274
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine
SMILESNC1CCC(C2(c3cc(F)ccc3F)COC2)CC1
InChIInChI=1S/C15H19F2NO/c16-11-3-6-14(17)13(7-11)15(8-19-9-15)10-1-4-12(18)5-2-10/h3,6-7,10,12H,1-2,4-5,8-9,18H2
InChIKeyOYRNBCHFSPDRME-UHFFFAOYSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2,5-difluorophenyl)oxetan-3-yl]methanamine
CID 83485213
3-[3-(5-chloro-2-fluorophenyl)oxetan-3-yl]azetidine
CID 116870742
4-(2,5-difluorophenyl)cyclohexan-1-amine
CID 83261679
4-[3-(2,5-difluorophenyl)oxetan-3-yl]aniline
CID 116871204
3-(2,5-difluorophenyl)-3-fluorocyclohexan-1-amine
CID 112567534
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
1-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclopropane-1-carboxylic acid
CID 116874690
1-(2,5-difluorophenyl)-4-ethylcyclohexan-1-amine
CID 62802100
7-(2,5-difluorophenyl)bicyclo[4.1.0]heptan-7-ol
CID 79330754
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401
1-(2,5-difluorophenyl)-3-methylcyclopentan-1-amine
CID 64515768

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine?
The IUPAC name of 4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine (CID 116871274) is 4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine is NC1CCC(C2(c3cc(F)ccc3F)COC2)CC1.
What is the InChIKey of 4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine?
The InChIKey is OYRNBCHFSPDRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c16-11-3-6-14(17)13(7-11)15(8-19-9-15)10-1-4-12(18)5-2-10/h3,6-7,10,12H,1-2,4-5,8-9,18H2.
What are the key properties of 4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine?
4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine has a molecular weight of 267.32 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-difluorophenyl)oxetan-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 116871274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).