1-(2,2,2-trifluoroethoxy)nonan-3-amine

C11H22F3NO — CID 103148084

IUPAC1-(2,2,2-trifluoroethoxy)nonan-3-amine
SMILESCCCCCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-2-3-4-5-6-10(15)7-8-16-9-11(12,13)14/h10H,2-9,15H2,1H3
InChIKeyCFTCHJONFQPIQL-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.25
Rot. Bonds9

About 1-(2,2,2-trifluoroethoxy)nonan-3-amine

1-(2,2,2-trifluoroethoxy)nonan-3-amine (PubChem CID 103148084) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)nonan-3-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)nonan-3-amine
PubChem CID103148084
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name1-(2,2,2-trifluoroethoxy)nonan-3-amine
SMILESCCCCCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-2-3-4-5-6-10(15)7-8-16-9-11(12,13)14/h10H,2-9,15H2,1H3
InChIKeyCFTCHJONFQPIQL-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 1-(2,2,2-trifluoroethoxy)nonan-3-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)nonan-3-amine (CID 103148084) is 1-(2,2,2-trifluoroethoxy)nonan-3-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)nonan-3-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)nonan-3-amine is CCCCCCC(N)CCOCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)nonan-3-amine?
The InChIKey is CFTCHJONFQPIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-2-3-4-5-6-10(15)7-8-16-9-11(12,13)14/h10H,2-9,15H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)nonan-3-amine?
1-(2,2,2-trifluoroethoxy)nonan-3-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 1-(2,2,2-trifluoroethoxy)nonan-3-amine is sourced from PubChem (CID 103148084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).