N-ethyl-1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine

C10H15F6N — CID 103312106

IUPACN-ethyl-1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine
SMILESC=C(C)CC(NCC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6N/c1-4-17-7(5-6(2)3)8(9(11,12)13)10(14,15)16/h7-8,17H,2,4-5H2,1,3H3
InChIKeyIOFZWTZXPNLMTO-UHFFFAOYSA-N
MW263.23 g/mol
LogP3.67
Rot. Bonds5

About N-ethyl-1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine

N-ethyl-1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine (PubChem CID 103312106) has the molecular formula C10H15F6N and a molecular weight of 263.23 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine
PubChem CID103312106
Molecular FormulaC10H15F6N
Molecular Weight263.23 g/mol
Exact Mass263.11
IUPAC NameN-ethyl-1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine
SMILESC=C(C)CC(NCC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6N/c1-4-17-7(5-6(2)3)8(9(11,12)13)10(14,15)16/h7-8,17H,2,4-5H2,1,3H3
InChIKeyIOFZWTZXPNLMTO-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine (CID 103312106) is N-ethyl-1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine is C=C(C)CC(NCC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine?
The InChIKey is IOFZWTZXPNLMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6N/c1-4-17-7(5-6(2)3)8(9(11,12)13)10(14,15)16/h7-8,17H,2,4-5H2,1,3H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine?
N-ethyl-1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine has a molecular weight of 263.23 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine is sourced from PubChem (CID 103312106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).