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

C9H13F6N — CID 103312104

IUPAC1,1,1-trifluoro-N,5-dimethyl-2-(trifluoromethyl)hex-5-en-3-amine
SMILESC=C(C)CC(NC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6N/c1-5(2)4-6(16-3)7(8(10,11)12)9(13,14)15/h6-7,16H,1,4H2,2-3H3
InChIKeyHIKVOOBXQNMHEA-UHFFFAOYSA-N
MW249.20 g/mol
LogP3.28
Rot. Bonds4

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

1,1,1-trifluoro-N,5-dimethyl-2-(trifluoromethyl)hex-5-en-3-amine (PubChem CID 103312104) has the molecular formula C9H13F6N and a molecular weight of 249.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,5-dimethyl-2-(trifluoromethyl)hex-5-en-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N,5-dimethyl-2-(trifluoromethyl)hex-5-en-3-amine
PubChem CID103312104
Molecular FormulaC9H13F6N
Molecular Weight249.20 g/mol
Exact Mass249.10
IUPAC Name1,1,1-trifluoro-N,5-dimethyl-2-(trifluoromethyl)hex-5-en-3-amine
SMILESC=C(C)CC(NC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6N/c1-5(2)4-6(16-3)7(8(10,11)12)9(13,14)15/h6-7,16H,1,4H2,2-3H3
InChIKeyHIKVOOBXQNMHEA-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 53.28
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

5-Propan-2-yl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
CID 146356803
7,7,7-trifluoro-N,6-dimethylhept-1-en-4-amine
CID 162600972
4,4-difluoro-N,6-dimethylhept-6-en-2-amine
CID 175622898
2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79179359
2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine
CID 134994094
1,1,1-trifluoro-N-methyl-5-methylideneheptan-3-amine
CID 66038742
1,1,1-trifluoro-5-methyl-N-propylhex-5-en-3-amine
CID 79179782
1,1,1-trifluoro-N,5-dimethylhex-5-en-3-amine
CID 79180164
N-ethyl-1,1,1-trifluoro-5-methylhex-5-en-3-amine
CID 79180165
7,7,7-trifluoro-N,2-dimethylhept-1-en-4-amine
CID 79952584
7,7,7-trifluoro-2-methyl-N-propylhept-1-en-4-amine
CID 79953463
N-ethyl-6,6,6-trifluoro-2-methylhex-1-en-3-amine
CID 79953603

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N,5-dimethyl-2-(trifluoromethyl)hex-5-en-3-amine?
The IUPAC name of 1,1,1-trifluoro-N,5-dimethyl-2-(trifluoromethyl)hex-5-en-3-amine (CID 103312104) is 1,1,1-trifluoro-N,5-dimethyl-2-(trifluoromethyl)hex-5-en-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-N,5-dimethyl-2-(trifluoromethyl)hex-5-en-3-amine?
The canonical SMILES for 1,1,1-trifluoro-N,5-dimethyl-2-(trifluoromethyl)hex-5-en-3-amine is C=C(C)CC(NC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N,5-dimethyl-2-(trifluoromethyl)hex-5-en-3-amine?
The InChIKey is HIKVOOBXQNMHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6N/c1-5(2)4-6(16-3)7(8(10,11)12)9(13,14)15/h6-7,16H,1,4H2,2-3H3.
What are the key properties of 1,1,1-trifluoro-N,5-dimethyl-2-(trifluoromethyl)hex-5-en-3-amine?
1,1,1-trifluoro-N,5-dimethyl-2-(trifluoromethyl)hex-5-en-3-amine has a molecular weight of 249.20 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N,5-dimethyl-2-(trifluoromethyl)hex-5-en-3-amine is sourced from PubChem (CID 103312104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).