N,4-diethyl-1-(2,2,2-trifluoroethoxy)octan-2-amine

C14H28F3NO — CID 103214697

IUPACN,4-diethyl-1-(2,2,2-trifluoroethoxy)octan-2-amine
SMILESCCCCC(CC)CC(COCC(F)(F)F)NCC
InChIInChI=1S/C14H28F3NO/c1-4-7-8-12(5-2)9-13(18-6-3)10-19-11-14(15,16)17/h12-13,18H,4-11H2,1-3H3
InChIKeyCVIJHFPRFOPPSF-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.15
Rot. Bonds11

About N,4-diethyl-1-(2,2,2-trifluoroethoxy)octan-2-amine

N,4-diethyl-1-(2,2,2-trifluoroethoxy)octan-2-amine (PubChem CID 103214697) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is N,4-diethyl-1-(2,2,2-trifluoroethoxy)octan-2-amine.

Molecular Properties

Compound NameN,4-diethyl-1-(2,2,2-trifluoroethoxy)octan-2-amine
PubChem CID103214697
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC NameN,4-diethyl-1-(2,2,2-trifluoroethoxy)octan-2-amine
SMILESCCCCC(CC)CC(COCC(F)(F)F)NCC
InChIInChI=1S/C14H28F3NO/c1-4-7-8-12(5-2)9-13(18-6-3)10-19-11-14(15,16)17/h12-13,18H,4-11H2,1-3H3
InChIKeyCVIJHFPRFOPPSF-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-1-(2,2,2-trifluoroethoxy)octan-2-amine?
The IUPAC name of N,4-diethyl-1-(2,2,2-trifluoroethoxy)octan-2-amine (CID 103214697) is N,4-diethyl-1-(2,2,2-trifluoroethoxy)octan-2-amine.
What is the SMILES notation for N,4-diethyl-1-(2,2,2-trifluoroethoxy)octan-2-amine?
The canonical SMILES for N,4-diethyl-1-(2,2,2-trifluoroethoxy)octan-2-amine is CCCCC(CC)CC(COCC(F)(F)F)NCC.
What is the InChIKey of N,4-diethyl-1-(2,2,2-trifluoroethoxy)octan-2-amine?
The InChIKey is CVIJHFPRFOPPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-4-7-8-12(5-2)9-13(18-6-3)10-19-11-14(15,16)17/h12-13,18H,4-11H2,1-3H3.
What are the key properties of N,4-diethyl-1-(2,2,2-trifluoroethoxy)octan-2-amine?
N,4-diethyl-1-(2,2,2-trifluoroethoxy)octan-2-amine has a molecular weight of 283.38 g/mol, XLogP of 4.15, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-1-(2,2,2-trifluoroethoxy)octan-2-amine is sourced from PubChem (CID 103214697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).