N-[3-(2,2,2-trifluoroethoxy)propyl]octan-1-amine

C13H26F3NO — CID 115280932

IUPACN-[3-(2,2,2-trifluoroethoxy)propyl]octan-1-amine
SMILESCCCCCCCCNCCCOCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-2-3-4-5-6-7-9-17-10-8-11-18-12-13(14,15)16/h17H,2-12H2,1H3
InChIKeyMCXITMPFFLCEFD-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.91
Rot. Bonds12

About N-[3-(2,2,2-trifluoroethoxy)propyl]octan-1-amine

N-[3-(2,2,2-trifluoroethoxy)propyl]octan-1-amine (PubChem CID 115280932) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)propyl]octan-1-amine.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)propyl]octan-1-amine
PubChem CID115280932
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)propyl]octan-1-amine
SMILESCCCCCCCCNCCCOCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-2-3-4-5-6-7-9-17-10-8-11-18-12-13(14,15)16/h17H,2-12H2,1H3
InChIKeyMCXITMPFFLCEFD-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.91
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

N-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine
CID 71122372
N-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine
CID 71228220
N-(1-ethoxy-2,2,2-trifluoroethyl)pentan-1-amine
CID 87091770
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-methoxyethyl)decan-1-amine
CID 87756808
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-(2-methoxyethyl)decan-1-amine
CID 87786455
N-[3-(2,2,2-trifluoroethoxy)propyl]octan-2-amine
CID 54961715
N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine
CID 54962287
N-(3-ethoxypropyl)-3,3,3-trifluoropropan-1-amine
CID 60689824
N-[2-(2,2,2-trifluoroethoxy)ethyl]octan-1-amine
CID 60733442
N-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptanamine
CID 60761888
N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 61490531
N-[2-(2,2,2-trifluoroethoxy)ethyl]octan-2-amine
CID 61490683

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,2-trifluoroethoxy)propyl]octan-1-amine?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)propyl]octan-1-amine (CID 115280932) is N-[3-(2,2,2-trifluoroethoxy)propyl]octan-1-amine.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)propyl]octan-1-amine?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)propyl]octan-1-amine is CCCCCCCCNCCCOCC(F)(F)F.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)propyl]octan-1-amine?
The InChIKey is MCXITMPFFLCEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-2-3-4-5-6-7-9-17-10-8-11-18-12-13(14,15)16/h17H,2-12H2,1H3.
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)propyl]octan-1-amine?
N-[3-(2,2,2-trifluoroethoxy)propyl]octan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 3.91, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethoxy)propyl]octan-1-amine is sourced from PubChem (CID 115280932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).