6-fluoro-2-[hydrazinyl-[(Z)-prop-1-enyl]amino]-5-propan-2-ylcyclohexa-1,3-diene

C12H20FN3 — CID 135232168

IUPAC6-fluoro-2-[hydrazinyl-[(Z)-prop-1-enyl]amino]-5-propan-2-ylcyclohexa-1,3-diene
SMILESC/C=C\N(NN)C1=CC(F)C(C(C)C)C=C1
InChIInChI=1S/C12H20FN3/c1-4-7-16(15-14)10-5-6-11(9(2)3)12(13)8-10/h4-9,11-12,15H,14H2,1-3H3/b7-4-
InChIKeyKMGYIYKJQBHTEH-DAXSKMNVSA-N
MW225.31 g/mol
LogP2.26
Rot. Bonds4

About 6-fluoro-2-[hydrazinyl-[(Z)-prop-1-enyl]amino]-5-propan-2-ylcyclohexa-1,3-diene

6-fluoro-2-[hydrazinyl-[(Z)-prop-1-enyl]amino]-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 135232168) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 6-fluoro-2-[hydrazinyl-[(Z)-prop-1-enyl]amino]-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-fluoro-2-[hydrazinyl-[(Z)-prop-1-enyl]amino]-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID135232168
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name6-fluoro-2-[hydrazinyl-[(Z)-prop-1-enyl]amino]-5-propan-2-ylcyclohexa-1,3-diene
SMILESC/C=C\N(NN)C1=CC(F)C(C(C)C)C=C1
InChIInChI=1S/C12H20FN3/c1-4-7-16(15-14)10-5-6-11(9(2)3)12(13)8-10/h4-9,11-12,15H,14H2,1-3H3/b7-4-
InChIKeyKMGYIYKJQBHTEH-DAXSKMNVSA-N
XLogP2.26
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.26
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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[hydrazinyl-[(Z)-prop-1-enyl]amino]-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 6-fluoro-2-[hydrazinyl-[(Z)-prop-1-enyl]amino]-5-propan-2-ylcyclohexa-1,3-diene (CID 135232168) is 6-fluoro-2-[hydrazinyl-[(Z)-prop-1-enyl]amino]-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 6-fluoro-2-[hydrazinyl-[(Z)-prop-1-enyl]amino]-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 6-fluoro-2-[hydrazinyl-[(Z)-prop-1-enyl]amino]-5-propan-2-ylcyclohexa-1,3-diene is C/C=C\N(NN)C1=CC(F)C(C(C)C)C=C1.
What is the InChIKey of 6-fluoro-2-[hydrazinyl-[(Z)-prop-1-enyl]amino]-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is KMGYIYKJQBHTEH-DAXSKMNVSA-N. The full InChI is InChI=1S/C12H20FN3/c1-4-7-16(15-14)10-5-6-11(9(2)3)12(13)8-10/h4-9,11-12,15H,14H2,1-3H3/b7-4-.
What are the key properties of 6-fluoro-2-[hydrazinyl-[(Z)-prop-1-enyl]amino]-5-propan-2-ylcyclohexa-1,3-diene?
6-fluoro-2-[hydrazinyl-[(Z)-prop-1-enyl]amino]-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 225.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[hydrazinyl-[(Z)-prop-1-enyl]amino]-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 135232168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).