8-(2,2,2-trifluoroethoxy)octan-4-amine

C10H20F3NO — CID 61491029

IUPAC8-(2,2,2-trifluoroethoxy)octan-4-amine
SMILESCCCC(N)CCCCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-2-5-9(14)6-3-4-7-15-8-10(11,12)13/h9H,2-8,14H2,1H3
InChIKeyBKIXJZFLBQZDNO-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.86
Rot. Bonds8

About 8-(2,2,2-trifluoroethoxy)octan-4-amine

8-(2,2,2-trifluoroethoxy)octan-4-amine (PubChem CID 61491029) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 8-(2,2,2-trifluoroethoxy)octan-4-amine.

Molecular Properties

Compound Name8-(2,2,2-trifluoroethoxy)octan-4-amine
PubChem CID61491029
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name8-(2,2,2-trifluoroethoxy)octan-4-amine
SMILESCCCC(N)CCCCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-2-5-9(14)6-3-4-7-15-8-10(11,12)13/h9H,2-8,14H2,1H3
InChIKeyBKIXJZFLBQZDNO-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.86
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 8-(2,2,2-trifluoroethoxy)octan-4-amine?
The IUPAC name of 8-(2,2,2-trifluoroethoxy)octan-4-amine (CID 61491029) is 8-(2,2,2-trifluoroethoxy)octan-4-amine.
What is the SMILES notation for 8-(2,2,2-trifluoroethoxy)octan-4-amine?
The canonical SMILES for 8-(2,2,2-trifluoroethoxy)octan-4-amine is CCCC(N)CCCCOCC(F)(F)F.
What is the InChIKey of 8-(2,2,2-trifluoroethoxy)octan-4-amine?
The InChIKey is BKIXJZFLBQZDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-2-5-9(14)6-3-4-7-15-8-10(11,12)13/h9H,2-8,14H2,1H3.
What are the key properties of 8-(2,2,2-trifluoroethoxy)octan-4-amine?
8-(2,2,2-trifluoroethoxy)octan-4-amine has a molecular weight of 227.27 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,2-trifluoroethoxy)octan-4-amine is sourced from PubChem (CID 61491029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).