9-(2,2,2-trifluoroethoxy)nonan-4-amine

C11H22F3NO — CID 64504134

IUPAC9-(2,2,2-trifluoroethoxy)nonan-4-amine
SMILESCCCC(N)CCCCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-2-6-10(15)7-4-3-5-8-16-9-11(12,13)14/h10H,2-9,15H2,1H3
InChIKeyQNFTYXPEBYLGQE-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.25
Rot. Bonds9

About 9-(2,2,2-trifluoroethoxy)nonan-4-amine

9-(2,2,2-trifluoroethoxy)nonan-4-amine (PubChem CID 64504134) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 9-(2,2,2-trifluoroethoxy)nonan-4-amine.

Molecular Properties

Compound Name9-(2,2,2-trifluoroethoxy)nonan-4-amine
PubChem CID64504134
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name9-(2,2,2-trifluoroethoxy)nonan-4-amine
SMILESCCCC(N)CCCCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-2-6-10(15)7-4-3-5-8-16-9-11(12,13)14/h10H,2-9,15H2,1H3
InChIKeyQNFTYXPEBYLGQE-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.25
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 9-(2,2,2-trifluoroethoxy)nonan-4-amine?
The IUPAC name of 9-(2,2,2-trifluoroethoxy)nonan-4-amine (CID 64504134) is 9-(2,2,2-trifluoroethoxy)nonan-4-amine.
What is the SMILES notation for 9-(2,2,2-trifluoroethoxy)nonan-4-amine?
The canonical SMILES for 9-(2,2,2-trifluoroethoxy)nonan-4-amine is CCCC(N)CCCCCOCC(F)(F)F.
What is the InChIKey of 9-(2,2,2-trifluoroethoxy)nonan-4-amine?
The InChIKey is QNFTYXPEBYLGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-2-6-10(15)7-4-3-5-8-16-9-11(12,13)14/h10H,2-9,15H2,1H3.
What are the key properties of 9-(2,2,2-trifluoroethoxy)nonan-4-amine?
9-(2,2,2-trifluoroethoxy)nonan-4-amine has a molecular weight of 241.30 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,2,2-trifluoroethoxy)nonan-4-amine is sourced from PubChem (CID 64504134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).