N-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine

C7H7ClF3N — CID 162583769

IUPACN-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
SMILESC=N/C(Cl)=C(\C=C/C)C(F)(F)F
InChIInChI=1S/C7H7ClF3N/c1-3-4-5(6(8)12-2)7(9,10)11/h3-4H,2H2,1H3/b4-3-,6-5+
InChIKeyATKFJVYQWDHTHP-DNVGVPOPSA-N
MW197.59 g/mol
LogP3.28
Rot. Bonds2

About N-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine

N-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine (PubChem CID 162583769) has the molecular formula C7H7ClF3N and a molecular weight of 197.59 g/mol. Its IUPAC name is N-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
PubChem CID162583769
Molecular FormulaC7H7ClF3N
Molecular Weight197.59 g/mol
Exact Mass197.02
IUPAC NameN-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
SMILESC=N/C(Cl)=C(\C=C/C)C(F)(F)F
InChIInChI=1S/C7H7ClF3N/c1-3-4-5(6(8)12-2)7(9,10)11/h3-4H,2H2,1H3/b4-3-,6-5+
InChIKeyATKFJVYQWDHTHP-DNVGVPOPSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.59
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z)-3-propan-2-yl-2,4-bis(trifluoromethyl)hepta-1,3,5-triene
CID 162429980
N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine
CID 142024133
ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene
CID 144657278
N-[(1E,3E)-1-chloro-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]methanimine
CID 126510662
(1Z,3E)-1-chloro-2-fluoro-1-(methylideneamino)penta-1,3-dien-3-amine
CID 129096112
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221
but-2-enoyl chloride;prop-2-enoyl chloride
CID 174874963
N'-[(Z)-1-chloro-3,3,3-trifluoro-2-methylprop-1-enyl]-N-methylidenecarbamimidoyl chloride
CID 171929825
CID 14849495
CID 14849495
acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine
CID 142835629
(2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
CID 143161230
(4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
CID 173482598

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine (CID 162583769) is N-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine is C=N/C(Cl)=C(\C=C/C)C(F)(F)F.
What is the InChIKey of N-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine?
The InChIKey is ATKFJVYQWDHTHP-DNVGVPOPSA-N. The full InChI is InChI=1S/C7H7ClF3N/c1-3-4-5(6(8)12-2)7(9,10)11/h3-4H,2H2,1H3/b4-3-,6-5+.
What are the key properties of N-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine?
N-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine has a molecular weight of 197.59 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 162583769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).