(Z)-1-(N-amino-4-fluoroanilino)prop-1-en-2-amine

C9H12FN3 — CID 146755291

IUPAC(Z)-1-(N-amino-4-fluoroanilino)prop-1-en-2-amine
SMILESC/C(N)=C/N(N)c1ccc(F)cc1
InChIInChI=1S/C9H12FN3/c1-7(11)6-13(12)9-4-2-8(10)3-5-9/h2-6H,11-12H2,1H3/b7-6-
InChIKeyROGUWNOIZOKWMS-SREVYHEPSA-N
MW181.21 g/mol
LogP1.33
Rot. Bonds2

About (Z)-1-(N-amino-4-fluoroanilino)prop-1-en-2-amine

(Z)-1-(N-amino-4-fluoroanilino)prop-1-en-2-amine (PubChem CID 146755291) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is (Z)-1-(N-amino-4-fluoroanilino)prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(N-amino-4-fluoroanilino)prop-1-en-2-amine
PubChem CID146755291
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name(Z)-1-(N-amino-4-fluoroanilino)prop-1-en-2-amine
SMILESC/C(N)=C/N(N)c1ccc(F)cc1
InChIInChI=1S/C9H12FN3/c1-7(11)6-13(12)9-4-2-8(10)3-5-9/h2-6H,11-12H2,1H3/b7-6-
InChIKeyROGUWNOIZOKWMS-SREVYHEPSA-N
XLogP1.33
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.33
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

(Z)-1-(N-amino-4-ethylanilino)prop-1-en-2-amine;ethane
CID 145011340
(1Z)-1-N-(4-fluorophenyl)-1-N-methylbuta-1,3-diene-1,3-diamine
CID 130222853
N-[(E)-but-2-en-2-yl]-N-tert-butyl-4-fluoroaniline
CID 146522209
2-(N-amino-4-fluoroanilino)ethyl acetate
CID 174542148
2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine
CID 174492825
4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline
CID 170134397
N-(N-amino-4-fluoroanilino)methanethioamide
CID 174652972
2-deuterio-4-fluoro-N,N-dimethylaniline
CID 146161763
N-ethenyl-4-fluoro-N-methylaniline
CID 130442199
N-(2-aminoethyl)-N-(4-fluorophenyl)acetamide
CID 28769229
N-carbonofluoridoyl-N-(4-fluorophenyl)carbamoyl fluoride
CID 23233797
1-(4-fluorophenyl)ethanone;methanol
CID 160697688

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(N-amino-4-fluoroanilino)prop-1-en-2-amine?
The IUPAC name of (Z)-1-(N-amino-4-fluoroanilino)prop-1-en-2-amine (CID 146755291) is (Z)-1-(N-amino-4-fluoroanilino)prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-(N-amino-4-fluoroanilino)prop-1-en-2-amine?
The canonical SMILES for (Z)-1-(N-amino-4-fluoroanilino)prop-1-en-2-amine is C/C(N)=C/N(N)c1ccc(F)cc1.
What is the InChIKey of (Z)-1-(N-amino-4-fluoroanilino)prop-1-en-2-amine?
The InChIKey is ROGUWNOIZOKWMS-SREVYHEPSA-N. The full InChI is InChI=1S/C9H12FN3/c1-7(11)6-13(12)9-4-2-8(10)3-5-9/h2-6H,11-12H2,1H3/b7-6-.
What are the key properties of (Z)-1-(N-amino-4-fluoroanilino)prop-1-en-2-amine?
(Z)-1-(N-amino-4-fluoroanilino)prop-1-en-2-amine has a molecular weight of 181.21 g/mol, XLogP of 1.33, 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-4-fluoroanilino)prop-1-en-2-amine is sourced from PubChem (CID 146755291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).