N-ethyl-1,1,1-trifluoro-5-(2,2,2-trifluoroethoxy)pentan-3-amine

C9H15F6NO — CID 55095367

IUPACN-ethyl-1,1,1-trifluoro-5-(2,2,2-trifluoroethoxy)pentan-3-amine
SMILESCCNC(CCOCC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C9H15F6NO/c1-2-16-7(5-8(10,11)12)3-4-17-6-9(13,14)15/h7,16H,2-6H2,1H3
InChIKeyQXLGGZWEBOESPQ-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.89
Rot. Bonds7

About N-ethyl-1,1,1-trifluoro-5-(2,2,2-trifluoroethoxy)pentan-3-amine

N-ethyl-1,1,1-trifluoro-5-(2,2,2-trifluoroethoxy)pentan-3-amine (PubChem CID 55095367) has the molecular formula C9H15F6NO and a molecular weight of 267.21 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-5-(2,2,2-trifluoroethoxy)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-5-(2,2,2-trifluoroethoxy)pentan-3-amine
PubChem CID55095367
Molecular FormulaC9H15F6NO
Molecular Weight267.21 g/mol
Exact Mass267.11
IUPAC NameN-ethyl-1,1,1-trifluoro-5-(2,2,2-trifluoroethoxy)pentan-3-amine
SMILESCCNC(CCOCC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C9H15F6NO/c1-2-16-7(5-8(10,11)12)3-4-17-6-9(13,14)15/h7,16H,2-6H2,1H3
InChIKeyQXLGGZWEBOESPQ-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.89
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-ethyl-1,1,1-trifluoro-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-5-(2,2,2-trifluoroethoxy)pentan-3-amine (CID 55095367) is N-ethyl-1,1,1-trifluoro-5-(2,2,2-trifluoroethoxy)pentan-3-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-5-(2,2,2-trifluoroethoxy)pentan-3-amine is CCNC(CCOCC(F)(F)F)CC(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
The InChIKey is QXLGGZWEBOESPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F6NO/c1-2-16-7(5-8(10,11)12)3-4-17-6-9(13,14)15/h7,16H,2-6H2,1H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
N-ethyl-1,1,1-trifluoro-5-(2,2,2-trifluoroethoxy)pentan-3-amine has a molecular weight of 267.21 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-5-(2,2,2-trifluoroethoxy)pentan-3-amine is sourced from PubChem (CID 55095367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).