1-N-[(Z)-2-(fluoroamino)prop-1-enyl]cyclohexa-1,5-diene-1,4-diamine

C9H14FN3 — CID 89361435

IUPAC1-N-[(Z)-2-(fluoroamino)prop-1-enyl]cyclohexa-1,5-diene-1,4-diamine
SMILESC/C(=C/NC1=CCC(N)C=C1)NF
InChIInChI=1S/C9H14FN3/c1-7(13-10)6-12-9-4-2-8(11)3-5-9/h2,4-6,8,12-13H,3,11H2,1H3/b7-6-
InChIKeyIXPFNHQRXACTSH-SREVYHEPSA-N
MW183.23 g/mol
LogP1.08
Rot. Bonds3

About 1-N-[(Z)-2-(fluoroamino)prop-1-enyl]cyclohexa-1,5-diene-1,4-diamine

1-N-[(Z)-2-(fluoroamino)prop-1-enyl]cyclohexa-1,5-diene-1,4-diamine (PubChem CID 89361435) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-N-[(Z)-2-(fluoroamino)prop-1-enyl]cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name1-N-[(Z)-2-(fluoroamino)prop-1-enyl]cyclohexa-1,5-diene-1,4-diamine
PubChem CID89361435
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name1-N-[(Z)-2-(fluoroamino)prop-1-enyl]cyclohexa-1,5-diene-1,4-diamine
SMILESC/C(=C/NC1=CCC(N)C=C1)NF
InChIInChI=1S/C9H14FN3/c1-7(13-10)6-12-9-4-2-8(11)3-5-9/h2,4-6,8,12-13H,3,11H2,1H3/b7-6-
InChIKeyIXPFNHQRXACTSH-SREVYHEPSA-N
XLogP1.08
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-Fluoropicoline
CID 69611625
Dihydrolutidin
CID 5245820
Dihydropicoline
CID 5246423
2-(Fluoromethyl)-6-methyl-1,2-dihydropyridine
CID 70459541
3-fluoro-N-methylcyclohexa-1,5-dien-1-amine
CID 89291172
N-ethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 89313772
6-Fluoro-2-methyl-1,2-dihydropyridine
CID 90267004
5-Fluoro-2-methyl-1,2-dihydropyridine
CID 90950322
6-Fluoro-2-methyl-1,2-dihydropyridin-4-amine
CID 141806401
(Z)-1-(1,2-dihydropyridin-2-yl)prop-1-en-1-amine;trifluoromethanamine
CID 144724033
3-Fluoro-2-methyl-1,2-dihydropyridine
CID 145491768
2-Ethyl-3-fluoro-1,2-dihydropyridine
CID 146384627

Frequently Asked Questions

What is the IUPAC name of 1-N-[(Z)-2-(fluoroamino)prop-1-enyl]cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 1-N-[(Z)-2-(fluoroamino)prop-1-enyl]cyclohexa-1,5-diene-1,4-diamine (CID 89361435) is 1-N-[(Z)-2-(fluoroamino)prop-1-enyl]cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 1-N-[(Z)-2-(fluoroamino)prop-1-enyl]cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 1-N-[(Z)-2-(fluoroamino)prop-1-enyl]cyclohexa-1,5-diene-1,4-diamine is C/C(=C/NC1=CCC(N)C=C1)NF.
What is the InChIKey of 1-N-[(Z)-2-(fluoroamino)prop-1-enyl]cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is IXPFNHQRXACTSH-SREVYHEPSA-N. The full InChI is InChI=1S/C9H14FN3/c1-7(13-10)6-12-9-4-2-8(11)3-5-9/h2,4-6,8,12-13H,3,11H2,1H3/b7-6-.
What are the key properties of 1-N-[(Z)-2-(fluoroamino)prop-1-enyl]cyclohexa-1,5-diene-1,4-diamine?
1-N-[(Z)-2-(fluoroamino)prop-1-enyl]cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 183.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(Z)-2-(fluoroamino)prop-1-enyl]cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 89361435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).