7,7,7-trifluoro-2-methoxy-N-propylheptan-3-amine

C11H22F3NO — CID 115517346

IUPAC7,7,7-trifluoro-2-methoxy-N-propylheptan-3-amine
SMILESCCCNC(CCCC(F)(F)F)C(C)OC
InChIInChI=1S/C11H22F3NO/c1-4-8-15-10(9(2)16-3)6-5-7-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyNGOYDQMOYQTGFX-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds8

About 7,7,7-trifluoro-2-methoxy-N-propylheptan-3-amine

7,7,7-trifluoro-2-methoxy-N-propylheptan-3-amine (PubChem CID 115517346) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 7,7,7-trifluoro-2-methoxy-N-propylheptan-3-amine.

Molecular Properties

Compound Name7,7,7-trifluoro-2-methoxy-N-propylheptan-3-amine
PubChem CID115517346
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name7,7,7-trifluoro-2-methoxy-N-propylheptan-3-amine
SMILESCCCNC(CCCC(F)(F)F)C(C)OC
InChIInChI=1S/C11H22F3NO/c1-4-8-15-10(9(2)16-3)6-5-7-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyNGOYDQMOYQTGFX-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-2-methoxy-N-propylheptan-3-amine?
The IUPAC name of 7,7,7-trifluoro-2-methoxy-N-propylheptan-3-amine (CID 115517346) is 7,7,7-trifluoro-2-methoxy-N-propylheptan-3-amine.
What is the SMILES notation for 7,7,7-trifluoro-2-methoxy-N-propylheptan-3-amine?
The canonical SMILES for 7,7,7-trifluoro-2-methoxy-N-propylheptan-3-amine is CCCNC(CCCC(F)(F)F)C(C)OC.
What is the InChIKey of 7,7,7-trifluoro-2-methoxy-N-propylheptan-3-amine?
The InChIKey is NGOYDQMOYQTGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-4-8-15-10(9(2)16-3)6-5-7-11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 7,7,7-trifluoro-2-methoxy-N-propylheptan-3-amine?
7,7,7-trifluoro-2-methoxy-N-propylheptan-3-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-2-methoxy-N-propylheptan-3-amine is sourced from PubChem (CID 115517346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).