(E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine;propane

C11H17ClF3N — CID 170732020

IUPAC(E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine;propane
SMILESC=C(C)/N=C(/C=C(\C)Cl)C(F)(F)F.CCC
InChIInChI=1S/C8H9ClF3N.C3H8/c1-5(2)13-7(4-6(3)9)8(10,11)12;1-3-2/h4H,1H2,2-3H3;3H2,1-2H3/b6-4+,13-7-;
InChIKeyPWJNGWGNQIHJIG-JTGNPJFOSA-N
MW255.71 g/mol
LogP5.08
Rot. Bonds2

About (E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine;propane

(E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine;propane (PubChem CID 170732020) has the molecular formula C11H17ClF3N and a molecular weight of 255.71 g/mol. Its IUPAC name is (E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine;propane.

Molecular Properties

Compound Name(E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine;propane
PubChem CID170732020
Molecular FormulaC11H17ClF3N
Molecular Weight255.71 g/mol
Exact Mass255.10
IUPAC Name(E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine;propane
SMILESC=C(C)/N=C(/C=C(\C)Cl)C(F)(F)F.CCC
InChIInChI=1S/C8H9ClF3N.C3H8/c1-5(2)13-7(4-6(3)9)8(10,11)12;1-3-2/h4H,1H2,2-3H3;3H2,1-2H3/b6-4+,13-7-;
InChIKeyPWJNGWGNQIHJIG-JTGNPJFOSA-N
XLogP5.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.71
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 169163898
(NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine
CID 169488452
3-methyl-N-prop-1-en-2-ylbut-2-enimidoyl chloride
CID 138554186
(3E)-4-chloro-2-ethylsulfanylpenta-1,3-diene
CID 142053852
(Z)-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 142163873
3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine
CID 162552052
butane;(E)-6,6,6-trifluoro-3-methyl-5-methyliminohex-3-en-2-one
CID 171794466
(3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 177050310
bis(2-methylprop-1-ene);propane
CID 159493997
N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine
CID 139563812
N-[(1E,3E)-1-chloro-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]methanimine
CID 126510662
N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine
CID 123498961

Frequently Asked Questions

What is the IUPAC name of (E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine;propane?
The IUPAC name of (E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine;propane (CID 170732020) is (E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine;propane.
What is the SMILES notation for (E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine;propane?
The canonical SMILES for (E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine;propane is C=C(C)/N=C(/C=C(\C)Cl)C(F)(F)F.CCC.
What is the InChIKey of (E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine;propane?
The InChIKey is PWJNGWGNQIHJIG-JTGNPJFOSA-N. The full InChI is InChI=1S/C8H9ClF3N.C3H8/c1-5(2)13-7(4-6(3)9)8(10,11)12;1-3-2/h4H,1H2,2-3H3;3H2,1-2H3/b6-4+,13-7-;.
What are the key properties of (E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine;propane?
(E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine;propane has a molecular weight of 255.71 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine;propane is sourced from PubChem (CID 170732020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).