3-(2,2-difluoroethoxy)-N-ethylheptan-4-amine

C11H23F2NO — CID 82004838

IUPAC3-(2,2-difluoroethoxy)-N-ethylheptan-4-amine
SMILESCCCC(NCC)C(CC)OCC(F)F
InChIInChI=1S/C11H23F2NO/c1-4-7-9(14-6-3)10(5-2)15-8-11(12)13/h9-11,14H,4-8H2,1-3H3
InChIKeyBOAKUTFLWNIWOV-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.82
Rot. Bonds9

About 3-(2,2-difluoroethoxy)-N-ethylheptan-4-amine

3-(2,2-difluoroethoxy)-N-ethylheptan-4-amine (PubChem CID 82004838) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-ethylheptan-4-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-ethylheptan-4-amine
PubChem CID82004838
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC Name3-(2,2-difluoroethoxy)-N-ethylheptan-4-amine
SMILESCCCC(NCC)C(CC)OCC(F)F
InChIInChI=1S/C11H23F2NO/c1-4-7-9(14-6-3)10(5-2)15-8-11(12)13/h9-11,14H,4-8H2,1-3H3
InChIKeyBOAKUTFLWNIWOV-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-ethylheptan-4-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-ethylheptan-4-amine (CID 82004838) is 3-(2,2-difluoroethoxy)-N-ethylheptan-4-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-ethylheptan-4-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-ethylheptan-4-amine is CCCC(NCC)C(CC)OCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-ethylheptan-4-amine?
The InChIKey is BOAKUTFLWNIWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO/c1-4-7-9(14-6-3)10(5-2)15-8-11(12)13/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-ethylheptan-4-amine?
3-(2,2-difluoroethoxy)-N-ethylheptan-4-amine has a molecular weight of 223.31 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-ethylheptan-4-amine is sourced from PubChem (CID 82004838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).