(E)-4,4,4-trifluoro-3-methyl-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine

C10H14F3N — CID 168972294

IUPAC(E)-4,4,4-trifluoro-3-methyl-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
SMILESCC/C=C(C)/N=C/C=C(\C)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-5-9(3)14-7-6-8(2)10(11,12)13/h5-7H,4H2,1-3H3/b8-6+,9-5+,14-7+
InChIKeyYQZZLADFAFBKIR-IIZZLDTFSA-N
MW205.22 g/mol
LogP3.88
Rot. Bonds3

About (E)-4,4,4-trifluoro-3-methyl-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine

(E)-4,4,4-trifluoro-3-methyl-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine (PubChem CID 168972294) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (E)-4,4,4-trifluoro-3-methyl-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(E)-4,4,4-trifluoro-3-methyl-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
PubChem CID168972294
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(E)-4,4,4-trifluoro-3-methyl-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
SMILESCC/C=C(C)/N=C/C=C(\C)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-5-9(3)14-7-6-8(2)10(11,12)13/h5-7H,4H2,1-3H3/b8-6+,9-5+,14-7+
InChIKeyYQZZLADFAFBKIR-IIZZLDTFSA-N
XLogP3.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.88
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

2-methylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-imine
CID 87065362
(Z)-2-ethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-en-1-imine
CID 89210806
(2Z,3Z)-2-(1-fluoroethylidene)-3-(3-fluoropropylidene)pyridine
CID 89255552
(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
N-(2-fluoro-4-methylpent-2-en-3-yl)prop-2-en-1-imine
CID 91152307
N-[(E)-1,1-difluoro-3-methylpent-2-en-2-yl]prop-2-en-1-imine
CID 117825719
(E)-3-methyl-N-(3,3,3-trifluoropropyl)pent-2-en-1-imine
CID 123586957
3-ethyl-2-methyl-5-(trifluoromethyl)-4H-azepine
CID 123620995
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 123975815
N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
CID 126612017
2-methylidene-N-[(3E,5Z)-4-(trifluoromethyl)octa-1,3,5-trien-2-yl]butan-1-imine
CID 129171334

Frequently Asked Questions

What is the IUPAC name of (E)-4,4,4-trifluoro-3-methyl-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine?
The IUPAC name of (E)-4,4,4-trifluoro-3-methyl-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine (CID 168972294) is (E)-4,4,4-trifluoro-3-methyl-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine.
What is the SMILES notation for (E)-4,4,4-trifluoro-3-methyl-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine?
The canonical SMILES for (E)-4,4,4-trifluoro-3-methyl-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine is CC/C=C(C)/N=C/C=C(\C)C(F)(F)F.
What is the InChIKey of (E)-4,4,4-trifluoro-3-methyl-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine?
The InChIKey is YQZZLADFAFBKIR-IIZZLDTFSA-N. The full InChI is InChI=1S/C10H14F3N/c1-4-5-9(3)14-7-6-8(2)10(11,12)13/h5-7H,4H2,1-3H3/b8-6+,9-5+,14-7+.
What are the key properties of (E)-4,4,4-trifluoro-3-methyl-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine?
(E)-4,4,4-trifluoro-3-methyl-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine has a molecular weight of 205.22 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,4-trifluoro-3-methyl-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine is sourced from PubChem (CID 168972294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).