1-(2,2,2-trifluoroethoxy)octan-2-amine

C10H20F3NO — CID 103214891

IUPAC1-(2,2,2-trifluoroethoxy)octan-2-amine
SMILESCCCCCCC(N)COCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-2-3-4-5-6-9(14)7-15-8-10(11,12)13/h9H,2-8,14H2,1H3
InChIKeySTQUJUKWOXKUGV-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.86
Rot. Bonds8

About 1-(2,2,2-trifluoroethoxy)octan-2-amine

1-(2,2,2-trifluoroethoxy)octan-2-amine (PubChem CID 103214891) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)octan-2-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)octan-2-amine
PubChem CID103214891
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name1-(2,2,2-trifluoroethoxy)octan-2-amine
SMILESCCCCCCC(N)COCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-2-3-4-5-6-9(14)7-15-8-10(11,12)13/h9H,2-8,14H2,1H3
InChIKeySTQUJUKWOXKUGV-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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Related Compounds

1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine
CID 103475085
1-(2,2,2-trifluoroethoxy)nonan-2-ylhydrazine
CID 103217351
N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine
CID 103214874
1,1,1-trifluorotetradecan-4-amine
CID 79954086
2-fluoro-1-(2,2,2-trifluoroethoxy)hexane
CID 10703268
6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490622
1-heptoxypentan-2-amine
CID 62044754
4-(2,2,2-trifluoroethoxymethyl)heptane
CID 139669708
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-amine
CID 103311798
henicosane-8,14-diamine;dihydrochloride
CID 170909168

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)octan-2-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)octan-2-amine (CID 103214891) is 1-(2,2,2-trifluoroethoxy)octan-2-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)octan-2-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)octan-2-amine is CCCCCCC(N)COCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)octan-2-amine?
The InChIKey is STQUJUKWOXKUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-2-3-4-5-6-9(14)7-15-8-10(11,12)13/h9H,2-8,14H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)octan-2-amine?
1-(2,2,2-trifluoroethoxy)octan-2-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 1-(2,2,2-trifluoroethoxy)octan-2-amine is sourced from PubChem (CID 103214891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).