(2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine

C7H10F3N — CID 145332953

IUPAC(2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine
SMILESC/C=C\C=C(/NC)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-3-4-5-6(11-2)7(8,9)10/h3-5,11H,1-2H3/b4-3-,6-5-
InChIKeyBCWHIBXHLQOKRD-OUPQRBNQSA-N
MW165.16 g/mol
LogP2.23
Rot. Bonds2

About (2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine

(2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine (PubChem CID 145332953) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is (2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine
PubChem CID145332953
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine
SMILESC/C=C\C=C(/NC)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-3-4-5-6(11-2)7(8,9)10/h3-5,11H,1-2H3/b4-3-,6-5-
InChIKeyBCWHIBXHLQOKRD-OUPQRBNQSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.23
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

(2Z,4E)-N-methylhexa-2,4-dien-2-amine
CID 142249043
(2Z,4Z)-N-methylhexa-2,4-dien-2-amine
CID 89105834
(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene
CID 146353509
4,4,4-trifluoro-N-methyl-3-(methylamino)but-2-enamide
CID 73028050
(1Z,3E,5E)-1-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
CID 126629591
(2Z,4E)-1,1,1-trifluoro-2-N-methyl-8-methyliminoocta-2,4-diene-2,5-diamine
CID 166651333
(1E,3Z)-1-iodophosphanyl-N-methylpenta-1,3-dien-1-amine
CID 138706186
(2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene
CID 142114601
(2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene
CID 135298694
(3Z,5Z)-2,2-dimethyl-3-(methylamino)-7-oxohepta-3,5-dienenitrile
CID 126546417
(2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine
CID 134365692
(1Z,3Z)-N-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 155138134

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine?
The IUPAC name of (2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine (CID 145332953) is (2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine?
The canonical SMILES for (2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine is C/C=C\C=C(/NC)C(F)(F)F.
What is the InChIKey of (2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine?
The InChIKey is BCWHIBXHLQOKRD-OUPQRBNQSA-N. The full InChI is InChI=1S/C7H10F3N/c1-3-4-5-6(11-2)7(8,9)10/h3-5,11H,1-2H3/b4-3-,6-5-.
What are the key properties of (2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine?
(2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine has a molecular weight of 165.16 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine is sourced from PubChem (CID 145332953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).