1,1,1-trifluoropent-3-en-2-imine

C5H6F3N — CID 123873216

IUPAC1,1,1-trifluoropent-3-en-2-imine
SMILES[H]/N=C(\C=CC)C(F)(F)F
InChIInChI=1S/C5H6F3N/c1-2-3-4(9)5(6,7)8/h2-3,9H,1H3/b3-2?,9-4+
InChIKeyCZIXHHBIGIPUGA-DTHAQFOJSA-N
MW137.10 g/mol
LogP2.14
Rot. Bonds1

About 1,1,1-trifluoropent-3-en-2-imine

1,1,1-trifluoropent-3-en-2-imine (PubChem CID 123873216) has the molecular formula C5H6F3N and a molecular weight of 137.10 g/mol. Its IUPAC name is 1,1,1-trifluoropent-3-en-2-imine.

Molecular Properties

Compound Name1,1,1-trifluoropent-3-en-2-imine
PubChem CID123873216
Molecular FormulaC5H6F3N
Molecular Weight137.10 g/mol
Exact Mass137.05
IUPAC Name1,1,1-trifluoropent-3-en-2-imine
SMILES[H]/N=C(\C=CC)C(F)(F)F
InChIInChI=1S/C5H6F3N/c1-2-3-4(9)5(6,7)8/h2-3,9H,1H3/b3-2?,9-4+
InChIKeyCZIXHHBIGIPUGA-DTHAQFOJSA-N
XLogP2.14
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,5-difluoropent-3-en-2-imine
CID 134933350
(E)-1,1,1,5,5,5-hexafluoropent-3-en-2-imine
CID 134992734
(4E)-4-fluorohepta-1,4-dien-3-imine
CID 91304230
(3Z)-5-fluorohexa-3,5-dien-2-imine
CID 91396866
(3E,5E)-3,5-difluorohepta-3,5-dien-2-imine
CID 117718963
1,1,1-Trifluoro-4-methylpent-3-en-2-imine
CID 118281607
(E)-3-fluorohex-3-en-2-imine
CID 123164683
(Z)-6-fluorohex-4-en-3-imine
CID 123311862
(3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123318040
(E)-3-fluoropent-3-en-2-imine
CID 123367626
4-Fluorohexa-1,4-dien-3-imine
CID 123515356
(E)-4-fluoropent-3-en-2-imine
CID 123517635

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropent-3-en-2-imine?
The IUPAC name of 1,1,1-trifluoropent-3-en-2-imine (CID 123873216) is 1,1,1-trifluoropent-3-en-2-imine.
What is the SMILES notation for 1,1,1-trifluoropent-3-en-2-imine?
The canonical SMILES for 1,1,1-trifluoropent-3-en-2-imine is [H]/N=C(\C=CC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropent-3-en-2-imine?
The InChIKey is CZIXHHBIGIPUGA-DTHAQFOJSA-N. The full InChI is InChI=1S/C5H6F3N/c1-2-3-4(9)5(6,7)8/h2-3,9H,1H3/b3-2?,9-4+.
What are the key properties of 1,1,1-trifluoropent-3-en-2-imine?
1,1,1-trifluoropent-3-en-2-imine has a molecular weight of 137.10 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropent-3-en-2-imine is sourced from PubChem (CID 123873216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).