(Z)-3-(3,4-difluoroanilino)prop-2-enimidamide

C9H9F2N3 — CID 142372312

IUPAC(Z)-3-(3,4-difluoroanilino)prop-2-enimidamide
SMILES[H]/N=C(N)/C=C\Nc1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2N3/c10-7-2-1-6(5-8(7)11)14-4-3-9(12)13/h1-5,14H,(H3,12,13)/b4-3-
InChIKeyCYDVHAOQPJPKIS-ARJAWSKDSA-N
MW197.19 g/mol
LogP1.83
Rot. Bonds3

About (Z)-3-(3,4-difluoroanilino)prop-2-enimidamide

(Z)-3-(3,4-difluoroanilino)prop-2-enimidamide (PubChem CID 142372312) has the molecular formula C9H9F2N3 and a molecular weight of 197.19 g/mol. Its IUPAC name is (Z)-3-(3,4-difluoroanilino)prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-(3,4-difluoroanilino)prop-2-enimidamide
PubChem CID142372312
Molecular FormulaC9H9F2N3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name(Z)-3-(3,4-difluoroanilino)prop-2-enimidamide
SMILES[H]/N=C(N)/C=C\Nc1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2N3/c10-7-2-1-6(5-8(7)11)14-4-3-9(12)13/h1-5,14H,(H3,12,13)/b4-3-
InChIKeyCYDVHAOQPJPKIS-ARJAWSKDSA-N
XLogP1.83
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-difluoroanilino)-1-(4-methylphenyl)prop-2-en-1-one
CID 171146601
1-(4-bromophenyl)-3-(3,4-difluoroanilino)prop-2-en-1-one
CID 887227
(E)-3-(3,4-difluoroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 51045827
(E)-3-(2,5-difluorophenyl)prop-2-enimidamide
CID 131235312
(E)-3-(3,4-difluoroanilino)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 46858600
(E)-3-(2,6-difluorophenyl)prop-2-enimidamide
CID 131242918
4-(3,4-difluorophenyl)benzenecarboximidamide
CID 15114042
4-(3,4-difluoroanilino)-2-fluorobenzenecarbothioamide
CID 115367816
(E)-1-(4-chloro-3-fluoroanilino)-4,4-dimethylpent-1-en-3-one
CID 9003905
(Z)-1-(7-chloroquinolin-2-yl)-N'-(3,4-difluorophenyl)ethene-1,2-diamine
CID 145139384
3,4-difluoro-N-methylaniline;methanimine
CID 144600669
(E)-3-(3-chloro-4-fluoroanilino)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 46858517

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,4-difluoroanilino)prop-2-enimidamide?
The IUPAC name of (Z)-3-(3,4-difluoroanilino)prop-2-enimidamide (CID 142372312) is (Z)-3-(3,4-difluoroanilino)prop-2-enimidamide.
What is the SMILES notation for (Z)-3-(3,4-difluoroanilino)prop-2-enimidamide?
The canonical SMILES for (Z)-3-(3,4-difluoroanilino)prop-2-enimidamide is [H]/N=C(N)/C=C\Nc1ccc(F)c(F)c1.
What is the InChIKey of (Z)-3-(3,4-difluoroanilino)prop-2-enimidamide?
The InChIKey is CYDVHAOQPJPKIS-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H9F2N3/c10-7-2-1-6(5-8(7)11)14-4-3-9(12)13/h1-5,14H,(H3,12,13)/b4-3-.
What are the key properties of (Z)-3-(3,4-difluoroanilino)prop-2-enimidamide?
(Z)-3-(3,4-difluoroanilino)prop-2-enimidamide has a molecular weight of 197.19 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,4-difluoroanilino)prop-2-enimidamide is sourced from PubChem (CID 142372312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).