3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine

C13H17ClFNO2 — CID 107943680

IUPAC3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H17ClFNO2/c1-2-5-17-13-11(16)7-12(13)18-8-3-4-10(15)9(14)6-8/h3-4,6,11-13H,2,5,7,16H2,1H3
InChIKeyIBIATKFOUPYZTO-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.75
Rot. Bonds5

About 3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine

3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine (PubChem CID 107943680) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine
PubChem CID107943680
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine
SMILESCCCOC1C(N)CC1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H17ClFNO2/c1-2-5-17-13-11(16)7-12(13)18-8-3-4-10(15)9(14)6-8/h3-4,6,11-13H,2,5,7,16H2,1H3
InChIKeyIBIATKFOUPYZTO-UHFFFAOYSA-N
XLogP2.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943230
2-propoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 107943448
3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine
CID 107943277
3-(4-chloro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943280
2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine
CID 107943861
3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66350938
3-(3-chloro-4-fluorophenoxy)-N-ethylcyclobutan-1-amine
CID 66351585
3-(3-chloro-4-fluorophenoxy)-2-ethoxycyclobutan-1-one
CID 104675215
3-(5-chloro-2-nitrophenoxy)-2-propoxycyclobutan-1-amine
CID 107943636
3-(4-fluoro-3-methylphenoxy)-2-methoxycyclobutan-1-amine
CID 104674976
3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol
CID 107942506
3-(4-fluoro-2-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943797

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine (CID 107943680) is 3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine is CCCOC1C(N)CC1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine?
The InChIKey is IBIATKFOUPYZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-2-5-17-13-11(16)7-12(13)18-8-3-4-10(15)9(14)6-8/h3-4,6,11-13H,2,5,7,16H2,1H3.
What are the key properties of 3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine?
3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine has a molecular weight of 273.73 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine is sourced from PubChem (CID 107943680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).