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

C11H17F6N — CID 103312105

IUPAC1,1,1-trifluoro-5-methyl-N-propyl-2-(trifluoromethyl)hex-5-en-3-amine
SMILESC=C(C)CC(NCCC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6N/c1-4-5-18-8(6-7(2)3)9(10(12,13)14)11(15,16)17/h8-9,18H,2,4-6H2,1,3H3
InChIKeyBLMMZKPHOMTNMR-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.06
Rot. Bonds6

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

1,1,1-trifluoro-5-methyl-N-propyl-2-(trifluoromethyl)hex-5-en-3-amine (PubChem CID 103312105) has the molecular formula C11H17F6N and a molecular weight of 277.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methyl-N-propyl-2-(trifluoromethyl)hex-5-en-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methyl-N-propyl-2-(trifluoromethyl)hex-5-en-3-amine
PubChem CID103312105
Molecular FormulaC11H17F6N
Molecular Weight277.25 g/mol
Exact Mass277.13
IUPAC Name1,1,1-trifluoro-5-methyl-N-propyl-2-(trifluoromethyl)hex-5-en-3-amine
SMILESC=C(C)CC(NCCC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6N/c1-4-5-18-8(6-7(2)3)9(10(12,13)14)11(15,16)17/h8-9,18H,2,4-6H2,1,3H3
InChIKeyBLMMZKPHOMTNMR-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.06
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

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
(Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine
CID 163831978
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
N-ethyl-1,1,1-trifluoro-5-methylideneheptan-3-amine
CID 66038743
1,1,1-trifluoro-5-methylidene-N-propylheptan-3-amine
CID 66038744
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

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-methyl-N-propyl-2-(trifluoromethyl)hex-5-en-3-amine?
The IUPAC name of 1,1,1-trifluoro-5-methyl-N-propyl-2-(trifluoromethyl)hex-5-en-3-amine (CID 103312105) is 1,1,1-trifluoro-5-methyl-N-propyl-2-(trifluoromethyl)hex-5-en-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-methyl-N-propyl-2-(trifluoromethyl)hex-5-en-3-amine?
The canonical SMILES for 1,1,1-trifluoro-5-methyl-N-propyl-2-(trifluoromethyl)hex-5-en-3-amine is C=C(C)CC(NCCC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-methyl-N-propyl-2-(trifluoromethyl)hex-5-en-3-amine?
The InChIKey is BLMMZKPHOMTNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6N/c1-4-5-18-8(6-7(2)3)9(10(12,13)14)11(15,16)17/h8-9,18H,2,4-6H2,1,3H3.
What are the key properties of 1,1,1-trifluoro-5-methyl-N-propyl-2-(trifluoromethyl)hex-5-en-3-amine?
1,1,1-trifluoro-5-methyl-N-propyl-2-(trifluoromethyl)hex-5-en-3-amine has a molecular weight of 277.25 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-methyl-N-propyl-2-(trifluoromethyl)hex-5-en-3-amine is sourced from PubChem (CID 103312105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).