3-(4-bromo-3-fluorophenoxy)-N,2,2-triethylcyclobutan-1-amine

C16H23BrFNO — CID 66350077

IUPAC3-(4-bromo-3-fluorophenoxy)-N,2,2-triethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc(Br)c(F)c2)C1(CC)CC
InChIInChI=1S/C16H23BrFNO/c1-4-16(5-2)14(19-6-3)10-15(16)20-11-7-8-12(17)13(18)9-11/h7-9,14-15,19H,4-6,10H2,1-3H3
InChIKeyPVAUDMWBUNXWKE-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.52
Rot. Bonds6

About 3-(4-bromo-3-fluorophenoxy)-N,2,2-triethylcyclobutan-1-amine

3-(4-bromo-3-fluorophenoxy)-N,2,2-triethylcyclobutan-1-amine (PubChem CID 66350077) has the molecular formula C16H23BrFNO and a molecular weight of 344.27 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenoxy)-N,2,2-triethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenoxy)-N,2,2-triethylcyclobutan-1-amine
PubChem CID66350077
Molecular FormulaC16H23BrFNO
Molecular Weight344.27 g/mol
Exact Mass343.09
IUPAC Name3-(4-bromo-3-fluorophenoxy)-N,2,2-triethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc(Br)c(F)c2)C1(CC)CC
InChIInChI=1S/C16H23BrFNO/c1-4-16(5-2)14(19-6-3)10-15(16)20-11-7-8-12(17)13(18)9-11/h7-9,14-15,19H,4-6,10H2,1-3H3
InChIKeyPVAUDMWBUNXWKE-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenoxy)-N,2,2-triethylcyclobutan-1-amine?
The IUPAC name of 3-(4-bromo-3-fluorophenoxy)-N,2,2-triethylcyclobutan-1-amine (CID 66350077) is 3-(4-bromo-3-fluorophenoxy)-N,2,2-triethylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromo-3-fluorophenoxy)-N,2,2-triethylcyclobutan-1-amine?
The canonical SMILES for 3-(4-bromo-3-fluorophenoxy)-N,2,2-triethylcyclobutan-1-amine is CCNC1CC(Oc2ccc(Br)c(F)c2)C1(CC)CC.
What is the InChIKey of 3-(4-bromo-3-fluorophenoxy)-N,2,2-triethylcyclobutan-1-amine?
The InChIKey is PVAUDMWBUNXWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO/c1-4-16(5-2)14(19-6-3)10-15(16)20-11-7-8-12(17)13(18)9-11/h7-9,14-15,19H,4-6,10H2,1-3H3.
What are the key properties of 3-(4-bromo-3-fluorophenoxy)-N,2,2-triethylcyclobutan-1-amine?
3-(4-bromo-3-fluorophenoxy)-N,2,2-triethylcyclobutan-1-amine has a molecular weight of 344.27 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenoxy)-N,2,2-triethylcyclobutan-1-amine is sourced from PubChem (CID 66350077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).