(Z)-1-(N-amino-3-chloro-2-fluoroanilino)prop-1-en-2-amine

C9H11ClFN3 — CID 144729267

IUPAC(Z)-1-(N-amino-3-chloro-2-fluoroanilino)prop-1-en-2-amine
SMILESC/C(N)=C/N(N)c1cccc(Cl)c1F
InChIInChI=1S/C9H11ClFN3/c1-6(12)5-14(13)8-4-2-3-7(10)9(8)11/h2-5H,12-13H2,1H3/b6-5-
InChIKeyZCBGVJBXPDCHPJ-WAYWQWQTSA-N
MW215.66 g/mol
LogP1.98
Rot. Bonds2

About (Z)-1-(N-amino-3-chloro-2-fluoroanilino)prop-1-en-2-amine

(Z)-1-(N-amino-3-chloro-2-fluoroanilino)prop-1-en-2-amine (PubChem CID 144729267) has the molecular formula C9H11ClFN3 and a molecular weight of 215.66 g/mol. Its IUPAC name is (Z)-1-(N-amino-3-chloro-2-fluoroanilino)prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(N-amino-3-chloro-2-fluoroanilino)prop-1-en-2-amine
PubChem CID144729267
Molecular FormulaC9H11ClFN3
Molecular Weight215.66 g/mol
Exact Mass215.06
IUPAC Name(Z)-1-(N-amino-3-chloro-2-fluoroanilino)prop-1-en-2-amine
SMILESC/C(N)=C/N(N)c1cccc(Cl)c1F
InChIInChI=1S/C9H11ClFN3/c1-6(12)5-14(13)8-4-2-3-7(10)9(8)11/h2-5H,12-13H2,1H3/b6-5-
InChIKeyZCBGVJBXPDCHPJ-WAYWQWQTSA-N
XLogP1.98
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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N-(2-carbamothioylphenyl)-3-chloro-2-fluoro-N-methylbenzamide
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(3-chloro-2-fluorophenyl)azanium
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N'-(3-chloro-2-fluorophenyl)benzenecarboximidamide
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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(N-amino-3-chloro-2-fluoroanilino)prop-1-en-2-amine?
The IUPAC name of (Z)-1-(N-amino-3-chloro-2-fluoroanilino)prop-1-en-2-amine (CID 144729267) is (Z)-1-(N-amino-3-chloro-2-fluoroanilino)prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-(N-amino-3-chloro-2-fluoroanilino)prop-1-en-2-amine?
The canonical SMILES for (Z)-1-(N-amino-3-chloro-2-fluoroanilino)prop-1-en-2-amine is C/C(N)=C/N(N)c1cccc(Cl)c1F.
What is the InChIKey of (Z)-1-(N-amino-3-chloro-2-fluoroanilino)prop-1-en-2-amine?
The InChIKey is ZCBGVJBXPDCHPJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H11ClFN3/c1-6(12)5-14(13)8-4-2-3-7(10)9(8)11/h2-5H,12-13H2,1H3/b6-5-.
What are the key properties of (Z)-1-(N-amino-3-chloro-2-fluoroanilino)prop-1-en-2-amine?
(Z)-1-(N-amino-3-chloro-2-fluoroanilino)prop-1-en-2-amine has a molecular weight of 215.66 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(N-amino-3-chloro-2-fluoroanilino)prop-1-en-2-amine is sourced from PubChem (CID 144729267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).