N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C14H24F3NO — CID 60733272

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESFC(F)(F)COCCNC1CCC2CCCCC2C1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)10-19-8-7-18-13-6-5-11-3-1-2-4-12(11)9-13/h11-13,18H,1-10H2
InChIKeyXKSKWUOVGQFFTH-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.51
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 60733272) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID60733272
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESFC(F)(F)COCCNC1CCC2CCCCC2C1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)10-19-8-7-18-13-6-5-11-3-1-2-4-12(11)9-13/h11-13,18H,1-10H2
InChIKeyXKSKWUOVGQFFTH-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.51
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 N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 60733272) is N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is FC(F)(F)COCCNC1CCC2CCCCC2C1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is XKSKWUOVGQFFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c15-14(16,17)10-19-8-7-18-13-6-5-11-3-1-2-4-12(11)9-13/h11-13,18H,1-10H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 279.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 60733272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).