N-[3-(2,2,2-trifluoroethoxy)propyl]octan-4-amine

C13H26F3NO — CID 103777336

IUPACN-[3-(2,2,2-trifluoroethoxy)propyl]octan-4-amine
SMILESCCCCC(CCC)NCCCOCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-3-5-8-12(7-4-2)17-9-6-10-18-11-13(14,15)16/h12,17H,3-11H2,1-2H3
InChIKeyBDHJPRWRVQMHQS-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.90
Rot. Bonds11

About N-[3-(2,2,2-trifluoroethoxy)propyl]octan-4-amine

N-[3-(2,2,2-trifluoroethoxy)propyl]octan-4-amine (PubChem CID 103777336) 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-4-amine.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)propyl]octan-4-amine
PubChem CID103777336
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)propyl]octan-4-amine
SMILESCCCCC(CCC)NCCCOCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-3-5-8-12(7-4-2)17-9-6-10-18-11-13(14,15)16/h12,17H,3-11H2,1-2H3
InChIKeyBDHJPRWRVQMHQS-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.90
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-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491037
N-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine
CID 71122372
N-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine
CID 71228220
N-[3-(2,2,2-trifluoroethoxy)propyl]octan-2-amine
CID 54961715
N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine
CID 54962287
6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine
CID 54962390
N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclooctanamine
CID 60732959
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
N'-cyclohexyl-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 61490968

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,2-trifluoroethoxy)propyl]octan-4-amine?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)propyl]octan-4-amine (CID 103777336) is N-[3-(2,2,2-trifluoroethoxy)propyl]octan-4-amine.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)propyl]octan-4-amine?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)propyl]octan-4-amine is CCCCC(CCC)NCCCOCC(F)(F)F.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)propyl]octan-4-amine?
The InChIKey is BDHJPRWRVQMHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-3-5-8-12(7-4-2)17-9-6-10-18-11-13(14,15)16/h12,17H,3-11H2,1-2H3.
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)propyl]octan-4-amine?
N-[3-(2,2,2-trifluoroethoxy)propyl]octan-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.90, 11 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-4-amine is sourced from PubChem (CID 103777336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).