(Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine

C10H14F3N — CID 134219972

IUPAC(Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine
SMILESC/C=C\C(C)=N\C(=C\CC)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-6-8(3)14-9(7-5-2)10(11,12)13/h4,6-7H,5H2,1-3H3/b6-4-,9-7+,14-8+
InChIKeyVRZJZRUFXOPFOA-JGCCJHDESA-N
MW205.22 g/mol
LogP3.88
Rot. Bonds3

About (Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine

(Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine (PubChem CID 134219972) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine
PubChem CID134219972
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine
SMILESC/C=C\C(C)=N\C(=C\CC)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-6-8(3)14-9(7-5-2)10(11,12)13/h4,6-7H,5H2,1-3H3/b6-4-,9-7+,14-8+
InChIKeyVRZJZRUFXOPFOA-JGCCJHDESA-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

5,7-Dimethyl-2-trifluoromethyl-4H-azepine
CID 14610094
3,7-dimethyl-2-(trifluoromethyl)-4H-azepine
CID 134915987
(Z)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782155
5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560383
(Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 88984410
(E)-3-fluoro-N-prop-1-en-2-ylpent-3-en-2-imine
CID 117805296
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
(Z)-5-methyl-N-(1,1,1-trifluoro-2-methylpent-2-en-3-yl)hex-3-en-2-imine
CID 123203347
(Z)-N-(trifluoromethyl)hex-4-en-3-imine
CID 123213688
1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 123560506
7-fluoro-2-(trifluoromethyl)-4H-azepine
CID 123675138
6-methyl-2-methylidene-4-(trifluoromethyl)-3H-pyridine
CID 123927403

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine?
The IUPAC name of (Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine (CID 134219972) is (Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine.
What is the SMILES notation for (Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine?
The canonical SMILES for (Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine is C/C=C\C(C)=N\C(=C\CC)C(F)(F)F.
What is the InChIKey of (Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine?
The InChIKey is VRZJZRUFXOPFOA-JGCCJHDESA-N. The full InChI is InChI=1S/C10H14F3N/c1-4-6-8(3)14-9(7-5-2)10(11,12)13/h4,6-7H,5H2,1-3H3/b6-4-,9-7+,14-8+.
What are the key properties of (Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine?
(Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-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 (Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine is sourced from PubChem (CID 134219972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).