3-(2,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-amine

C12H15F2NO — CID 66357142

IUPAC3-(2,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)C(N)CC1Oc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO/c1-12(2)10(15)6-11(12)16-9-4-3-7(13)5-8(9)14/h3-5,10-11H,6,15H2,1-2H3
InChIKeyLPTPVFNTKNZSKY-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.47
Rot. Bonds2

About 3-(2,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-amine

3-(2,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-amine (PubChem CID 66357142) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 3-(2,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-amine
PubChem CID66357142
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name3-(2,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)C(N)CC1Oc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO/c1-12(2)10(15)6-11(12)16-9-4-3-7(13)5-8(9)14/h3-5,10-11H,6,15H2,1-2H3
InChIKeyLPTPVFNTKNZSKY-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(2,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-amine (CID 66357142) is 3-(2,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(2,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-amine is CC1(C)C(N)CC1Oc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is LPTPVFNTKNZSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-12(2)10(15)6-11(12)16-9-4-3-7(13)5-8(9)14/h3-5,10-11H,6,15H2,1-2H3.
What are the key properties of 3-(2,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-amine?
3-(2,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 227.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66357142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).