(Z)-4-(2,2-difluorocyclopropyl)-4-iminobut-2-en-2-amine

C7H10F2N2 — CID 166803500

IUPAC(Z)-4-(2,2-difluorocyclopropyl)-4-iminobut-2-en-2-amine
SMILES[H]/N=C(\C=C(\C)N)C1CC1(F)F
InChIInChI=1S/C7H10F2N2/c1-4(10)2-6(11)5-3-7(5,8)9/h2,5,11H,3,10H2,1H3/b4-2-,11-6+
InChIKeyWGPXBJBHNHGTMV-BIJUYLNCSA-N
MW160.17 g/mol
LogP1.52
Rot. Bonds2

About (Z)-4-(2,2-difluorocyclopropyl)-4-iminobut-2-en-2-amine

(Z)-4-(2,2-difluorocyclopropyl)-4-iminobut-2-en-2-amine (PubChem CID 166803500) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is (Z)-4-(2,2-difluorocyclopropyl)-4-iminobut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-(2,2-difluorocyclopropyl)-4-iminobut-2-en-2-amine
PubChem CID166803500
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name(Z)-4-(2,2-difluorocyclopropyl)-4-iminobut-2-en-2-amine
SMILES[H]/N=C(\C=C(\C)N)C1CC1(F)F
InChIInChI=1S/C7H10F2N2/c1-4(10)2-6(11)5-3-7(5,8)9/h2,5,11H,3,10H2,1H3/b4-2-,11-6+
InChIKeyWGPXBJBHNHGTMV-BIJUYLNCSA-N
XLogP1.52
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-4-(2,2-difluorocyclopropyl)-4-iminobut-2-en-2-amine?
The IUPAC name of (Z)-4-(2,2-difluorocyclopropyl)-4-iminobut-2-en-2-amine (CID 166803500) is (Z)-4-(2,2-difluorocyclopropyl)-4-iminobut-2-en-2-amine.
What is the SMILES notation for (Z)-4-(2,2-difluorocyclopropyl)-4-iminobut-2-en-2-amine?
The canonical SMILES for (Z)-4-(2,2-difluorocyclopropyl)-4-iminobut-2-en-2-amine is [H]/N=C(\C=C(\C)N)C1CC1(F)F.
What is the InChIKey of (Z)-4-(2,2-difluorocyclopropyl)-4-iminobut-2-en-2-amine?
The InChIKey is WGPXBJBHNHGTMV-BIJUYLNCSA-N. The full InChI is InChI=1S/C7H10F2N2/c1-4(10)2-6(11)5-3-7(5,8)9/h2,5,11H,3,10H2,1H3/b4-2-,11-6+.
What are the key properties of (Z)-4-(2,2-difluorocyclopropyl)-4-iminobut-2-en-2-amine?
(Z)-4-(2,2-difluorocyclopropyl)-4-iminobut-2-en-2-amine has a molecular weight of 160.17 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2,2-difluorocyclopropyl)-4-iminobut-2-en-2-amine is sourced from PubChem (CID 166803500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).