(2Z,4E)-7,7,7-trifluoro-4-N-methylhepta-2,4-diene-1,4-diamine

C8H13F3N2 — CID 142251307

IUPAC(2Z,4E)-7,7,7-trifluoro-4-N-methylhepta-2,4-diene-1,4-diamine
SMILESCNC(/C=C\CN)=C/CC(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-13-7(3-2-6-12)4-5-8(9,10)11/h2-4,13H,5-6,12H2,1H3/b3-2-,7-4+
InChIKeyUMCFUPNJHSOYJR-UDJLOATDSA-N
MW194.20 g/mol
LogP1.56
Rot. Bonds4

About (2Z,4E)-7,7,7-trifluoro-4-N-methylhepta-2,4-diene-1,4-diamine

(2Z,4E)-7,7,7-trifluoro-4-N-methylhepta-2,4-diene-1,4-diamine (PubChem CID 142251307) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is (2Z,4E)-7,7,7-trifluoro-4-N-methylhepta-2,4-diene-1,4-diamine.

Molecular Properties

Compound Name(2Z,4E)-7,7,7-trifluoro-4-N-methylhepta-2,4-diene-1,4-diamine
PubChem CID142251307
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name(2Z,4E)-7,7,7-trifluoro-4-N-methylhepta-2,4-diene-1,4-diamine
SMILESCNC(/C=C\CN)=C/CC(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-13-7(3-2-6-12)4-5-8(9,10)11/h2-4,13H,5-6,12H2,1H3/b3-2-,7-4+
InChIKeyUMCFUPNJHSOYJR-UDJLOATDSA-N
XLogP1.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 89289612
3-fluoro-N-methylcyclohexa-1,5-dien-1-amine
CID 89291172
N-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 89313772
6-Fluoro-2-methyl-1,2-dihydropyridine
CID 90267004
2-Methyl-6-(trifluoromethyl)-1,2-dihydropyridine
CID 118214483
6-Propan-2-yl-2-(trifluoromethyl)-1,2-dihydropyridine
CID 126671560
6-Methyl-5-(trifluoromethyl)-1,2-dihydropyridine
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6-Methyl-2-(trifluoromethyl)-1,2-dihydropyridine
CID 126694951

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-7,7,7-trifluoro-4-N-methylhepta-2,4-diene-1,4-diamine?
The IUPAC name of (2Z,4E)-7,7,7-trifluoro-4-N-methylhepta-2,4-diene-1,4-diamine (CID 142251307) is (2Z,4E)-7,7,7-trifluoro-4-N-methylhepta-2,4-diene-1,4-diamine.
What is the SMILES notation for (2Z,4E)-7,7,7-trifluoro-4-N-methylhepta-2,4-diene-1,4-diamine?
The canonical SMILES for (2Z,4E)-7,7,7-trifluoro-4-N-methylhepta-2,4-diene-1,4-diamine is CNC(/C=C\CN)=C/CC(F)(F)F.
What is the InChIKey of (2Z,4E)-7,7,7-trifluoro-4-N-methylhepta-2,4-diene-1,4-diamine?
The InChIKey is UMCFUPNJHSOYJR-UDJLOATDSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-13-7(3-2-6-12)4-5-8(9,10)11/h2-4,13H,5-6,12H2,1H3/b3-2-,7-4+.
What are the key properties of (2Z,4E)-7,7,7-trifluoro-4-N-methylhepta-2,4-diene-1,4-diamine?
(2Z,4E)-7,7,7-trifluoro-4-N-methylhepta-2,4-diene-1,4-diamine has a molecular weight of 194.20 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-7,7,7-trifluoro-4-N-methylhepta-2,4-diene-1,4-diamine is sourced from PubChem (CID 142251307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).