3-[4-(2,2-difluorocyclopropyl)phenoxy]cyclobutan-1-amine;hydrochloride

C13H16ClF2NO — CID 167652175

IUPAC3-[4-(2,2-difluorocyclopropyl)phenoxy]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(Oc2ccc(C3CC3(F)F)cc2)C1
InChIInChI=1S/C13H15F2NO.ClH/c14-13(15)7-12(13)8-1-3-10(4-2-8)17-11-5-9(16)6-11;/h1-4,9,11-12H,5-7,16H2;1H
InChIKeyDFLCGHHTRIZBAO-UHFFFAOYSA-N
MW275.73 g/mol
LogP3.10
Rot. Bonds3

About 3-[4-(2,2-difluorocyclopropyl)phenoxy]cyclobutan-1-amine;hydrochloride

3-[4-(2,2-difluorocyclopropyl)phenoxy]cyclobutan-1-amine;hydrochloride (PubChem CID 167652175) has the molecular formula C13H16ClF2NO and a molecular weight of 275.73 g/mol. Its IUPAC name is 3-[4-(2,2-difluorocyclopropyl)phenoxy]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[4-(2,2-difluorocyclopropyl)phenoxy]cyclobutan-1-amine;hydrochloride
PubChem CID167652175
Molecular FormulaC13H16ClF2NO
Molecular Weight275.73 g/mol
Exact Mass275.09
IUPAC Name3-[4-(2,2-difluorocyclopropyl)phenoxy]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(Oc2ccc(C3CC3(F)F)cc2)C1
InChIInChI=1S/C13H15F2NO.ClH/c14-13(15)7-12(13)8-1-3-10(4-2-8)17-11-5-9(16)6-11;/h1-4,9,11-12H,5-7,16H2;1H
InChIKeyDFLCGHHTRIZBAO-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.73
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-difluorocyclopropyl)phenoxy]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 3-[4-(2,2-difluorocyclopropyl)phenoxy]cyclobutan-1-amine;hydrochloride (CID 167652175) is 3-[4-(2,2-difluorocyclopropyl)phenoxy]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-[4-(2,2-difluorocyclopropyl)phenoxy]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3-[4-(2,2-difluorocyclopropyl)phenoxy]cyclobutan-1-amine;hydrochloride is Cl.NC1CC(Oc2ccc(C3CC3(F)F)cc2)C1.
What is the InChIKey of 3-[4-(2,2-difluorocyclopropyl)phenoxy]cyclobutan-1-amine;hydrochloride?
The InChIKey is DFLCGHHTRIZBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO.ClH/c14-13(15)7-12(13)8-1-3-10(4-2-8)17-11-5-9(16)6-11;/h1-4,9,11-12H,5-7,16H2;1H.
What are the key properties of 3-[4-(2,2-difluorocyclopropyl)phenoxy]cyclobutan-1-amine;hydrochloride?
3-[4-(2,2-difluorocyclopropyl)phenoxy]cyclobutan-1-amine;hydrochloride has a molecular weight of 275.73 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-difluorocyclopropyl)phenoxy]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 167652175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).