4-fluoro-3-N-methylcyclohexa-1,3-diene-1,3-diamine

C7H11FN2 — CID 89191347

IUPAC4-fluoro-3-N-methylcyclohexa-1,3-diene-1,3-diamine
SMILESCNC1=C(F)CCC(N)=C1
InChIInChI=1S/C7H11FN2/c1-10-7-4-5(9)2-3-6(7)8/h4,10H,2-3,9H2,1H3
InChIKeyZQWSIXRJRUFJQR-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.02
Rot. Bonds1

About 4-fluoro-3-N-methylcyclohexa-1,3-diene-1,3-diamine

4-fluoro-3-N-methylcyclohexa-1,3-diene-1,3-diamine (PubChem CID 89191347) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 4-fluoro-3-N-methylcyclohexa-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name4-fluoro-3-N-methylcyclohexa-1,3-diene-1,3-diamine
PubChem CID89191347
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name4-fluoro-3-N-methylcyclohexa-1,3-diene-1,3-diamine
SMILESCNC1=C(F)CCC(N)=C1
InChIInChI=1S/C7H11FN2/c1-10-7-4-5(9)2-3-6(7)8/h4,10H,2-3,9H2,1H3
InChIKeyZQWSIXRJRUFJQR-UHFFFAOYSA-N
XLogP1.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-N-methylcyclohexa-1,3-diene-1,3-diamine?
The IUPAC name of 4-fluoro-3-N-methylcyclohexa-1,3-diene-1,3-diamine (CID 89191347) is 4-fluoro-3-N-methylcyclohexa-1,3-diene-1,3-diamine.
What is the SMILES notation for 4-fluoro-3-N-methylcyclohexa-1,3-diene-1,3-diamine?
The canonical SMILES for 4-fluoro-3-N-methylcyclohexa-1,3-diene-1,3-diamine is CNC1=C(F)CCC(N)=C1.
What is the InChIKey of 4-fluoro-3-N-methylcyclohexa-1,3-diene-1,3-diamine?
The InChIKey is ZQWSIXRJRUFJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-10-7-4-5(9)2-3-6(7)8/h4,10H,2-3,9H2,1H3.
What are the key properties of 4-fluoro-3-N-methylcyclohexa-1,3-diene-1,3-diamine?
4-fluoro-3-N-methylcyclohexa-1,3-diene-1,3-diamine has a molecular weight of 142.18 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-N-methylcyclohexa-1,3-diene-1,3-diamine is sourced from PubChem (CID 89191347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).