ethane;2-methylbut-1-ene;(E)-1,1,1-trifluoro-3-methylpent-2-en-2-amine

C13H26F3N — CID 144511179

IUPACethane;2-methylbut-1-ene;(E)-1,1,1-trifluoro-3-methylpent-2-en-2-amine
SMILESC=C(C)CC.CC.CC/C(C)=C(/N)C(F)(F)F
InChIInChI=1S/C6H10F3N.C5H10.C2H6/c1-3-4(2)5(10)6(7,8)9;1-4-5(2)3;1-2/h3,10H2,1-2H3;2,4H2,1,3H3;1-2H3/b5-4+;;
InChIKeyPJFGVXMWYTVCLS-SFKRKKMESA-N
MW253.35 g/mol
LogP5.19
Rot. Bonds2

About ethane;2-methylbut-1-ene;(E)-1,1,1-trifluoro-3-methylpent-2-en-2-amine

ethane;2-methylbut-1-ene;(E)-1,1,1-trifluoro-3-methylpent-2-en-2-amine (PubChem CID 144511179) has the molecular formula C13H26F3N and a molecular weight of 253.35 g/mol. Its IUPAC name is ethane;2-methylbut-1-ene;(E)-1,1,1-trifluoro-3-methylpent-2-en-2-amine.

Molecular Properties

Compound Nameethane;2-methylbut-1-ene;(E)-1,1,1-trifluoro-3-methylpent-2-en-2-amine
PubChem CID144511179
Molecular FormulaC13H26F3N
Molecular Weight253.35 g/mol
Exact Mass253.20
IUPAC Nameethane;2-methylbut-1-ene;(E)-1,1,1-trifluoro-3-methylpent-2-en-2-amine
SMILESC=C(C)CC.CC.CC/C(C)=C(/N)C(F)(F)F
InChIInChI=1S/C6H10F3N.C5H10.C2H6/c1-3-4(2)5(10)6(7,8)9;1-4-5(2)3;1-2/h3,10H2,1-2H3;2,4H2,1,3H3;1-2H3/b5-4+;;
InChIKeyPJFGVXMWYTVCLS-SFKRKKMESA-N
XLogP5.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.35
LogP ≤ 55.19
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

butane;ethane;2-methylbut-1-ene
CID 142050807
N,N-dimethylmethanamine;2-methylbut-1-ene
CID 88812091
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
methane;bis(2-methylbut-1-ene)
CID 160529780
ethane;methanamine;2-methylbut-1-ene;2-methylpropane
CID 142055312
(3Z)-2,4-dimethylhexa-1,3-dien-3-amine
CID 167041122
(E)-3-methyl-4-(trifluoromethyl)hex-3-ene
CID 162602319
(E)-4-methylhex-3-en-3-amine
CID 129020883
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
but-2-ene;2-methylbut-1-ene
CID 160732246
acetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine
CID 169178718
(E)-3-methyl-4-methylidenehex-2-en-2-amine
CID 177319888

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbut-1-ene;(E)-1,1,1-trifluoro-3-methylpent-2-en-2-amine?
The IUPAC name of ethane;2-methylbut-1-ene;(E)-1,1,1-trifluoro-3-methylpent-2-en-2-amine (CID 144511179) is ethane;2-methylbut-1-ene;(E)-1,1,1-trifluoro-3-methylpent-2-en-2-amine.
What is the SMILES notation for ethane;2-methylbut-1-ene;(E)-1,1,1-trifluoro-3-methylpent-2-en-2-amine?
The canonical SMILES for ethane;2-methylbut-1-ene;(E)-1,1,1-trifluoro-3-methylpent-2-en-2-amine is C=C(C)CC.CC.CC/C(C)=C(/N)C(F)(F)F.
What is the InChIKey of ethane;2-methylbut-1-ene;(E)-1,1,1-trifluoro-3-methylpent-2-en-2-amine?
The InChIKey is PJFGVXMWYTVCLS-SFKRKKMESA-N. The full InChI is InChI=1S/C6H10F3N.C5H10.C2H6/c1-3-4(2)5(10)6(7,8)9;1-4-5(2)3;1-2/h3,10H2,1-2H3;2,4H2,1,3H3;1-2H3/b5-4+;;.
What are the key properties of ethane;2-methylbut-1-ene;(E)-1,1,1-trifluoro-3-methylpent-2-en-2-amine?
ethane;2-methylbut-1-ene;(E)-1,1,1-trifluoro-3-methylpent-2-en-2-amine has a molecular weight of 253.35 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbut-1-ene;(E)-1,1,1-trifluoro-3-methylpent-2-en-2-amine is sourced from PubChem (CID 144511179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).