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

C8H9ClF3N — CID 170732021

IUPAC(E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine
SMILESC=C(C)/N=C(/C=C(\C)Cl)C(F)(F)F
InChIInChI=1S/C8H9ClF3N/c1-5(2)13-7(4-6(3)9)8(10,11)12/h4H,1H2,2-3H3/b6-4+,13-7-
InChIKeySVNYDYKPWPLHHC-VKIZFATHSA-N
MW211.61 g/mol
LogP3.67
Rot. Bonds2

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

(E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine (PubChem CID 170732021) has the molecular formula C8H9ClF3N and a molecular weight of 211.61 g/mol. Its IUPAC name is (E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine
PubChem CID170732021
Molecular FormulaC8H9ClF3N
Molecular Weight211.61 g/mol
Exact Mass211.04
IUPAC Name(E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine
SMILESC=C(C)/N=C(/C=C(\C)Cl)C(F)(F)F
InChIInChI=1S/C8H9ClF3N/c1-5(2)13-7(4-6(3)9)8(10,11)12/h4H,1H2,2-3H3/b6-4+,13-7-
InChIKeySVNYDYKPWPLHHC-VKIZFATHSA-N
XLogP3.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 53.67
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

(E)-4-chloro-1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 91330788
(E)-3-fluoro-N-prop-1-en-2-ylpent-3-en-2-imine
CID 117805296
(Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)pent-3-en-2-imine
CID 131996217
(Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine
CID 134219972
(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine
CID 135140839
(Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 137401028
1-chloro-N-(3,3-dimethylbut-1-en-2-yl)-1,1-difluoro-4-methylpent-3-en-2-imine
CID 141872700
(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane
CID 142374868
7-methyl-2-(trifluoromethyl)-4H-azepine
CID 145130421
propane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine
CID 153342667
(E)-4-chloro-1,1,1-trifluoro-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine
CID 162613217
N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropenta-3,4-dien-2-imine
CID 167222148

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?
The IUPAC name of (E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine (CID 170732021) is (E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine.
What is the SMILES notation for (E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine?
The canonical SMILES for (E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine is C=C(C)/N=C(/C=C(\C)Cl)C(F)(F)F.
What is the InChIKey of (E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine?
The InChIKey is SVNYDYKPWPLHHC-VKIZFATHSA-N. The full InChI is InChI=1S/C8H9ClF3N/c1-5(2)13-7(4-6(3)9)8(10,11)12/h4H,1H2,2-3H3/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?
(E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine has a molecular weight of 211.61 g/mol, XLogP of 3.67, 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 is sourced from PubChem (CID 170732021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).