(Z)-2-(chloromethyl)-1,1,1-trifluorohept-2-en-4-imine

C8H11ClF3N — CID 123820732

IUPAC(Z)-2-(chloromethyl)-1,1,1-trifluorohept-2-en-4-imine
SMILES[H]/N=C(/C=C(\CCl)C(F)(F)F)CCC
InChIInChI=1S/C8H11ClF3N/c1-2-3-7(13)4-6(5-9)8(10,11)12/h4,13H,2-3,5H2,1H3/b6-4+,13-7+
InChIKeyHSNXPLCBMYNXSF-RYSUZZKOSA-N
MW213.63 g/mol
LogP3.53
Rot. Bonds4

About (Z)-2-(chloromethyl)-1,1,1-trifluorohept-2-en-4-imine

(Z)-2-(chloromethyl)-1,1,1-trifluorohept-2-en-4-imine (PubChem CID 123820732) has the molecular formula C8H11ClF3N and a molecular weight of 213.63 g/mol. Its IUPAC name is (Z)-2-(chloromethyl)-1,1,1-trifluorohept-2-en-4-imine.

Molecular Properties

Compound Name(Z)-2-(chloromethyl)-1,1,1-trifluorohept-2-en-4-imine
PubChem CID123820732
Molecular FormulaC8H11ClF3N
Molecular Weight213.63 g/mol
Exact Mass213.05
IUPAC Name(Z)-2-(chloromethyl)-1,1,1-trifluorohept-2-en-4-imine
SMILES[H]/N=C(/C=C(\CCl)C(F)(F)F)CCC
InChIInChI=1S/C8H11ClF3N/c1-2-3-7(13)4-6(5-9)8(10,11)12/h4,13H,2-3,5H2,1H3/b6-4+,13-7+
InChIKeyHSNXPLCBMYNXSF-RYSUZZKOSA-N
XLogP3.53
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.63
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-chloro-6-(trifluoromethyl)hepta-4,6-dien-3-imine
CID 88900847
6-Chloro-4-methylhept-4-ene-2,3-diimine
CID 90887194
(Z)-1-chloro-4-(chloromethyl)hept-4-en-2-imine
CID 173869140

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(chloromethyl)-1,1,1-trifluorohept-2-en-4-imine?
The IUPAC name of (Z)-2-(chloromethyl)-1,1,1-trifluorohept-2-en-4-imine (CID 123820732) is (Z)-2-(chloromethyl)-1,1,1-trifluorohept-2-en-4-imine.
What is the SMILES notation for (Z)-2-(chloromethyl)-1,1,1-trifluorohept-2-en-4-imine?
The canonical SMILES for (Z)-2-(chloromethyl)-1,1,1-trifluorohept-2-en-4-imine is [H]/N=C(/C=C(\CCl)C(F)(F)F)CCC.
What is the InChIKey of (Z)-2-(chloromethyl)-1,1,1-trifluorohept-2-en-4-imine?
The InChIKey is HSNXPLCBMYNXSF-RYSUZZKOSA-N. The full InChI is InChI=1S/C8H11ClF3N/c1-2-3-7(13)4-6(5-9)8(10,11)12/h4,13H,2-3,5H2,1H3/b6-4+,13-7+.
What are the key properties of (Z)-2-(chloromethyl)-1,1,1-trifluorohept-2-en-4-imine?
(Z)-2-(chloromethyl)-1,1,1-trifluorohept-2-en-4-imine has a molecular weight of 213.63 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(chloromethyl)-1,1,1-trifluorohept-2-en-4-imine is sourced from PubChem (CID 123820732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).