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

C8H11F6N — CID 103312103

IUPAC1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine
SMILESC=C(C)CC(N)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6N/c1-4(2)3-5(15)6(7(9,10)11)8(12,13)14/h5-6H,1,3,15H2,2H3
InChIKeyJDRQTAITOZKUNX-UHFFFAOYSA-N
MW235.17 g/mol
LogP3.02
Rot. Bonds3

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

1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine (PubChem CID 103312103) has the molecular formula C8H11F6N and a molecular weight of 235.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine
PubChem CID103312103
Molecular FormulaC8H11F6N
Molecular Weight235.17 g/mol
Exact Mass235.08
IUPAC Name1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine
SMILESC=C(C)CC(N)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6N/c1-4(2)3-5(15)6(7(9,10)11)8(12,13)14/h5-6H,1,3,15H2,2H3
InChIKeyJDRQTAITOZKUNX-UHFFFAOYSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 53.02
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-Difluoro-4-methylpent-4-en-2-amine
CID 13116879
1,1-Difluoro-5-methylhex-5-en-2-amine
CID 88692408
(2R)-7,7-difluoro-4-methylideneheptan-2-amine
CID 89729056
4-(Trifluoromethyl)pent-4-en-2-amine
CID 134408942
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
6,6-Difluoro-2,5,5-trimethylhex-1-en-3-amine
CID 167281594
6,6,6-Trifluoro-2,5,5-trimethylhex-1-en-3-amine
CID 167282072
(2R)-1,1-difluoro-4-methylpent-4-en-2-amine
CID 170585135
3,7,7-Trifluoro-3-methylhept-1-en-4-amine
CID 175485411
1,1,1-Trifluoro-5-methylideneheptan-3-amine
CID 66038741
1,1,1-Trifluoro-5-methylhex-5-en-3-amine
CID 79179983

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine?
The IUPAC name of 1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine (CID 103312103) is 1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine?
The canonical SMILES for 1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine is C=C(C)CC(N)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine?
The InChIKey is JDRQTAITOZKUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6N/c1-4(2)3-5(15)6(7(9,10)11)8(12,13)14/h5-6H,1,3,15H2,2H3.
What are the key properties of 1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine?
1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-5-en-3-amine has a molecular weight of 235.17 g/mol, XLogP of 3.02, 3 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-2-(trifluoromethyl)hex-5-en-3-amine is sourced from PubChem (CID 103312103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).