(1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine

C9H12F3N — CID 142154552

IUPAC(1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine
SMILESC=C/C(=C\C=C\NCC)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-3-8(9(10,11)12)6-5-7-13-4-2/h3,5-7,13H,1,4H2,2H3/b7-5+,8-6+
InChIKeyCZAGHFDXDOUXRO-KQQUZDAGSA-N
MW191.20 g/mol
LogP2.78
Rot. Bonds4

About (1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine

(1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine (PubChem CID 142154552) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is (1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine
PubChem CID142154552
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name(1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine
SMILESC=C/C(=C\C=C\NCC)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-3-8(9(10,11)12)6-5-7-13-4-2/h3,5-7,13H,1,4H2,2H3/b7-5+,8-6+
InChIKeyCZAGHFDXDOUXRO-KQQUZDAGSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.78
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

(3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene
CID 143576225
(3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene
CID 134504364
(3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
CID 162565488
(3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene
CID 163624463
(E)-N,N'-diethylethene-1,2-diamine
CID 15752165
(3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene
CID 162612401
(1E)-N-methyl-N-propan-2-yl-2-(trifluoromethyl)buta-1,3-dien-1-amine;propane
CID 156717514
(3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene
CID 145480576
ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine
CID 143734563
ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol
CID 164918182
ethane;(2Z,4E,7E)-5-ethenyl-7-[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)deca-2,4,7-triene
CID 143322922
(1Z,3Z,5Z,7Z)-N-ethyl-3-prop-2-enylidenedeca-1,5,7-trien-1-amine
CID 166724369

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine (CID 142154552) is (1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine is C=C/C(=C\C=C\NCC)C(F)(F)F.
What is the InChIKey of (1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
The InChIKey is CZAGHFDXDOUXRO-KQQUZDAGSA-N. The full InChI is InChI=1S/C9H12F3N/c1-3-8(9(10,11)12)6-5-7-13-4-2/h3,5-7,13H,1,4H2,2H3/b7-5+,8-6+.
What are the key properties of (1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine?
(1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine has a molecular weight of 191.20 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 142154552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).