3-[(3,5-difluorophenyl)methoxy]cyclobutan-1-amine

C11H13F2NO — CID 105404486

IUPAC3-[(3,5-difluorophenyl)methoxy]cyclobutan-1-amine
SMILESNC1CC(OCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C11H13F2NO/c12-8-1-7(2-9(13)3-8)6-15-11-4-10(14)5-11/h1-3,10-11H,4-6,14H2
InChIKeySDWLKYCKSWFHIY-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.97
Rot. Bonds3

About 3-[(3,5-difluorophenyl)methoxy]cyclobutan-1-amine

3-[(3,5-difluorophenyl)methoxy]cyclobutan-1-amine (PubChem CID 105404486) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-[(3,5-difluorophenyl)methoxy]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(3,5-difluorophenyl)methoxy]cyclobutan-1-amine
PubChem CID105404486
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-[(3,5-difluorophenyl)methoxy]cyclobutan-1-amine
SMILESNC1CC(OCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C11H13F2NO/c12-8-1-7(2-9(13)3-8)6-15-11-4-10(14)5-11/h1-3,10-11H,4-6,14H2
InChIKeySDWLKYCKSWFHIY-UHFFFAOYSA-N
XLogP1.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluorophenyl)methoxy]cyclobutan-1-amine?
The IUPAC name of 3-[(3,5-difluorophenyl)methoxy]cyclobutan-1-amine (CID 105404486) is 3-[(3,5-difluorophenyl)methoxy]cyclobutan-1-amine.
What is the SMILES notation for 3-[(3,5-difluorophenyl)methoxy]cyclobutan-1-amine?
The canonical SMILES for 3-[(3,5-difluorophenyl)methoxy]cyclobutan-1-amine is NC1CC(OCc2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-[(3,5-difluorophenyl)methoxy]cyclobutan-1-amine?
The InChIKey is SDWLKYCKSWFHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-8-1-7(2-9(13)3-8)6-15-11-4-10(14)5-11/h1-3,10-11H,4-6,14H2.
What are the key properties of 3-[(3,5-difluorophenyl)methoxy]cyclobutan-1-amine?
3-[(3,5-difluorophenyl)methoxy]cyclobutan-1-amine has a molecular weight of 213.23 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorophenyl)methoxy]cyclobutan-1-amine is sourced from PubChem (CID 105404486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).