N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine

C10H15F6N — CID 103312002

IUPACN-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine
SMILESC=CCCC(NCC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6N/c1-3-5-6-7(17-4-2)8(9(11,12)13)10(14,15)16/h3,7-8,17H,1,4-6H2,2H3
InChIKeySMFOESRBIAJYSY-UHFFFAOYSA-N
MW263.23 g/mol
LogP3.67
Rot. Bonds6

About N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine

N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine (PubChem CID 103312002) has the molecular formula C10H15F6N and a molecular weight of 263.23 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine
PubChem CID103312002
Molecular FormulaC10H15F6N
Molecular Weight263.23 g/mol
Exact Mass263.11
IUPAC NameN-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine
SMILESC=CCCC(NCC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6N/c1-3-5-6-7(17-4-2)8(9(11,12)13)10(14,15)16/h3,7-8,17H,1,4-6H2,2H3
InChIKeySMFOESRBIAJYSY-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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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Related Compounds

6-methyl-N-prop-2-enylhept-1-en-4-amine
CID 134859993
(E)-1,1,1-trifluoro-8-methyl-N-propan-2-ylnon-5-en-2-amine
CID 132061406
(Z)-1,1,1-trifluoro-8-methyl-N-propan-2-ylnon-5-en-2-amine
CID 132061415
1,1,1-trifluoro-N-(3-methylbutan-2-yl)oct-7-en-2-amine
CID 156093459
7,7,7-trifluoro-N,6-dimethylhept-1-en-4-amine
CID 162600972
Ethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine
CID 163278944
7,7,7-Trifluoro-3-methylhept-1-en-4-amine
CID 163278945
(Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine
CID 163831978
4-methyl-4-prop-2-enyl-N-(3,3,3-trifluoropropyl)hept-6-en-2-amine
CID 166059860
N-ethyl-1,1,1-trifluorohex-5-en-3-amine
CID 61392752
1,1,1-trifluoro-N-propylhept-6-en-3-amine
CID 64297000
1,1,1-trifluoro-N-methylhept-6-en-3-amine
CID 64300206

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine (CID 103312002) is N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine is C=CCCC(NCC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine?
The InChIKey is SMFOESRBIAJYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6N/c1-3-5-6-7(17-4-2)8(9(11,12)13)10(14,15)16/h3,7-8,17H,1,4-6H2,2H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine?
N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine has a molecular weight of 263.23 g/mol, XLogP of 3.67, 6 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-2-(trifluoromethyl)hept-6-en-3-amine is sourced from PubChem (CID 103312002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).