(Z)-1,1,1-trifluoro-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine

C8H12F3N3 — CID 139358046

IUPAC(Z)-1,1,1-trifluoro-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine
SMILES[H]/N=C/C(=C(\N)C(F)(F)F)C1CCNC1
InChIInChI=1S/C8H12F3N3/c9-8(10,11)7(13)6(3-12)5-1-2-14-4-5/h3,5,12,14H,1-2,4,13H2/b7-6+,12-3+
InChIKeyMPQKQUOGSORKFE-IDBBQSAQSA-N
MW207.20 g/mol
LogP1.02
Rot. Bonds2

About (Z)-1,1,1-trifluoro-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine

(Z)-1,1,1-trifluoro-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine (PubChem CID 139358046) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine
PubChem CID139358046
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name(Z)-1,1,1-trifluoro-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine
SMILES[H]/N=C/C(=C(\N)C(F)(F)F)C1CCNC1
InChIInChI=1S/C8H12F3N3/c9-8(10,11)7(13)6(3-12)5-1-2-14-4-5/h3,5,12,14H,1-2,4,13H2/b7-6+,12-3+
InChIKeyMPQKQUOGSORKFE-IDBBQSAQSA-N
XLogP1.02
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine?
The IUPAC name of (Z)-1,1,1-trifluoro-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine (CID 139358046) is (Z)-1,1,1-trifluoro-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine?
The canonical SMILES for (Z)-1,1,1-trifluoro-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine is [H]/N=C/C(=C(\N)C(F)(F)F)C1CCNC1.
What is the InChIKey of (Z)-1,1,1-trifluoro-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine?
The InChIKey is MPQKQUOGSORKFE-IDBBQSAQSA-N. The full InChI is InChI=1S/C8H12F3N3/c9-8(10,11)7(13)6(3-12)5-1-2-14-4-5/h3,5,12,14H,1-2,4,13H2/b7-6+,12-3+.
What are the key properties of (Z)-1,1,1-trifluoro-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine?
(Z)-1,1,1-trifluoro-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine has a molecular weight of 207.20 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-4-imino-3-pyrrolidin-3-ylbut-2-en-2-amine is sourced from PubChem (CID 139358046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).