(Z)-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine

C9H12F3N — CID 166528353

IUPAC(Z)-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine
SMILESC/C=C\C=N\C(=C/CC)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-3-5-7-13-8(6-4-2)9(10,11)12/h3,5-7H,4H2,1-2H3/b5-3-,8-6-,13-7+
InChIKeyZSCZQCSWEFXAKG-ZDHGGEHDSA-N
MW191.20 g/mol
LogP3.49
Rot. Bonds3

About (Z)-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine

(Z)-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine (PubChem CID 166528353) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is (Z)-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine
PubChem CID166528353
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name(Z)-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine
SMILESC/C=C\C=N\C(=C/CC)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-3-5-7-13-8(6-4-2)9(10,11)12/h3,5-7H,4H2,1-2H3/b5-3-,8-6-,13-7+
InChIKeyZSCZQCSWEFXAKG-ZDHGGEHDSA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 53.49
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)-2-ethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-en-1-imine
CID 89210806
(E)-N-[(Z)-but-2-en-2-yl]-4,4,4-trifluorobut-2-en-1-imine
CID 89214268
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
(Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine
CID 123539659
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
(2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine
CID 130414005
(Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)pent-3-en-2-imine
CID 131996217
4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride
CID 134172148
(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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine?
The IUPAC name of (Z)-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine (CID 166528353) is (Z)-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine is C/C=C\C=N\C(=C/CC)C(F)(F)F.
What is the InChIKey of (Z)-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine?
The InChIKey is ZSCZQCSWEFXAKG-ZDHGGEHDSA-N. The full InChI is InChI=1S/C9H12F3N/c1-3-5-7-13-8(6-4-2)9(10,11)12/h3,5-7H,4H2,1-2H3/b5-3-,8-6-,13-7+.
What are the key properties of (Z)-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine?
(Z)-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine has a molecular weight of 191.20 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine is sourced from PubChem (CID 166528353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).