3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine

C17H25F2N — CID 81421409

IUPAC3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2c(F)cccc2F)C1(CC)CC
InChIInChI=1S/C17H25F2N/c1-4-10-20-15-11-12(17(15,5-2)6-3)16-13(18)8-7-9-14(16)19/h7-9,12,15,20H,4-6,10-11H2,1-3H3
InChIKeyKIZLLOXMWPYAKU-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.63
Rot. Bonds6

About 3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine

3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine (PubChem CID 81421409) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine
PubChem CID81421409
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC Name3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(c2c(F)cccc2F)C1(CC)CC
InChIInChI=1S/C17H25F2N/c1-4-10-20-15-11-12(17(15,5-2)6-3)16-13(18)8-7-9-14(16)19/h7-9,12,15,20H,4-6,10-11H2,1-3H3
InChIKeyKIZLLOXMWPYAKU-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine (CID 81421409) is 3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine is CCCNC1CC(c2c(F)cccc2F)C1(CC)CC.
What is the InChIKey of 3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine?
The InChIKey is KIZLLOXMWPYAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-4-10-20-15-11-12(17(15,5-2)6-3)16-13(18)8-7-9-14(16)19/h7-9,12,15,20H,4-6,10-11H2,1-3H3.
What are the key properties of 3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine?
3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine has a molecular weight of 281.39 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-2,2-diethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 81421409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).