ethane;(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine

C12H20F3N — CID 142547622

IUPACethane;(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine
SMILESC=C/C(=C\C(=C)C)C(N)CC(F)(F)F.CC
InChIInChI=1S/C10H14F3N.C2H6/c1-4-8(5-7(2)3)9(14)6-10(11,12)13;1-2/h4-5,9H,1-2,6,14H2,3H3;1-2H3/b8-5+;
InChIKeySUFZVGYEQYILPC-HAAWTFQLSA-N
MW235.29 g/mol
LogP3.98
Rot. Bonds4

About ethane;(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine

ethane;(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine (PubChem CID 142547622) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is ethane;(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine.

Molecular Properties

Compound Nameethane;(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine
PubChem CID142547622
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Nameethane;(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine
SMILESC=C/C(=C\C(=C)C)C(N)CC(F)(F)F.CC
InChIInChI=1S/C10H14F3N.C2H6/c1-4-8(5-7(2)3)9(14)6-10(11,12)13;1-2/h4-5,9H,1-2,6,14H2,3H3;1-2H3/b8-5+;
InChIKeySUFZVGYEQYILPC-HAAWTFQLSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-1,1-difluoro-4-methylhept-3-ene-2,5-diamine
CID 20476198
(E)-1-fluoro-4-methylhept-3-ene-2,5-diamine
CID 20476203
1-Fluoro-4-methylhept-3-ene-2,5-diamine
CID 53738507
5,5-Difluoroocta-2,7-dien-4-amine
CID 54176095
1,1-Difluoro-4-methylhept-3-ene-2,5-diamine
CID 54214840
6-Methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 67321718
4-Ethyl-6-fluoro-3-methylcyclohexa-2,4-dien-1-amine
CID 68084234
(1R)-1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 68097553
1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 77408480
(E)-3-ethyl-6,6-difluorohex-2-ene-1,5-diamine
CID 88697788
(E)-1-fluoro-5-methyloct-4-ene-2,6-diamine
CID 88697808
(E)-1,1-difluoro-4-methyloct-3-ene-2,6-diamine
CID 88698396

Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine?
The IUPAC name of ethane;(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine (CID 142547622) is ethane;(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine.
What is the SMILES notation for ethane;(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine?
The canonical SMILES for ethane;(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine is C=C/C(=C\C(=C)C)C(N)CC(F)(F)F.CC.
What is the InChIKey of ethane;(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine?
The InChIKey is SUFZVGYEQYILPC-HAAWTFQLSA-N. The full InChI is InChI=1S/C10H14F3N.C2H6/c1-4-8(5-7(2)3)9(14)6-10(11,12)13;1-2/h4-5,9H,1-2,6,14H2,3H3;1-2H3/b8-5+;.
What are the key properties of ethane;(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine?
ethane;(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine has a molecular weight of 235.29 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-4-ethenyl-1,1,1-trifluoro-6-methylhepta-4,6-dien-3-amine is sourced from PubChem (CID 142547622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).