7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-amine

C11H22F3NO — CID 115000107

IUPAC7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
SMILESCC(C)CCC(N)CCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(2)5-6-10(15)4-3-7-16-8-11(12,13)14/h9-10H,3-8,15H2,1-2H3
InChIKeyLVDIQAVRDBTCQJ-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.11
Rot. Bonds8

About 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-amine

7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-amine (PubChem CID 115000107) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-amine.

Molecular Properties

Compound Name7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
PubChem CID115000107
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
SMILESCC(C)CCC(N)CCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(2)5-6-10(15)4-3-7-16-8-11(12,13)14/h9-10H,3-8,15H2,1-2H3
InChIKeyLVDIQAVRDBTCQJ-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-amine?
The IUPAC name of 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-amine (CID 115000107) is 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-amine.
What is the SMILES notation for 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-amine?
The canonical SMILES for 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-amine is CC(C)CCC(N)CCCOCC(F)(F)F.
What is the InChIKey of 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-amine?
The InChIKey is LVDIQAVRDBTCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-9(2)5-6-10(15)4-3-7-16-8-11(12,13)14/h9-10H,3-8,15H2,1-2H3.
What are the key properties of 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-amine?
7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-amine has a molecular weight of 241.30 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-amine is sourced from PubChem (CID 115000107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).