2-fluoro-1-N,2-dimethylcyclohexa-3,5-diene-1,3-diamine

C8H13FN2 — CID 154997179

IUPAC2-fluoro-1-N,2-dimethylcyclohexa-3,5-diene-1,3-diamine
SMILESCNC1C=CC=C(N)C1(C)F
InChIInChI=1S/C8H13FN2/c1-8(9)6(10)4-3-5-7(8)11-2/h3-5,7,11H,10H2,1-2H3
InChIKeyZICMUFXUYMHLGN-UHFFFAOYSA-N
MW156.20 g/mol
LogP0.71
Rot. Bonds1

About 2-fluoro-1-N,2-dimethylcyclohexa-3,5-diene-1,3-diamine

2-fluoro-1-N,2-dimethylcyclohexa-3,5-diene-1,3-diamine (PubChem CID 154997179) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 2-fluoro-1-N,2-dimethylcyclohexa-3,5-diene-1,3-diamine.

Molecular Properties

Compound Name2-fluoro-1-N,2-dimethylcyclohexa-3,5-diene-1,3-diamine
PubChem CID154997179
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name2-fluoro-1-N,2-dimethylcyclohexa-3,5-diene-1,3-diamine
SMILESCNC1C=CC=C(N)C1(C)F
InChIInChI=1S/C8H13FN2/c1-8(9)6(10)4-3-5-7(8)11-2/h3-5,7,11H,10H2,1-2H3
InChIKeyZICMUFXUYMHLGN-UHFFFAOYSA-N
XLogP0.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N,2-dimethylcyclohexa-3,5-diene-1,3-diamine?
The IUPAC name of 2-fluoro-1-N,2-dimethylcyclohexa-3,5-diene-1,3-diamine (CID 154997179) is 2-fluoro-1-N,2-dimethylcyclohexa-3,5-diene-1,3-diamine.
What is the SMILES notation for 2-fluoro-1-N,2-dimethylcyclohexa-3,5-diene-1,3-diamine?
The canonical SMILES for 2-fluoro-1-N,2-dimethylcyclohexa-3,5-diene-1,3-diamine is CNC1C=CC=C(N)C1(C)F.
What is the InChIKey of 2-fluoro-1-N,2-dimethylcyclohexa-3,5-diene-1,3-diamine?
The InChIKey is ZICMUFXUYMHLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-8(9)6(10)4-3-5-7(8)11-2/h3-5,7,11H,10H2,1-2H3.
What are the key properties of 2-fluoro-1-N,2-dimethylcyclohexa-3,5-diene-1,3-diamine?
2-fluoro-1-N,2-dimethylcyclohexa-3,5-diene-1,3-diamine has a molecular weight of 156.20 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N,2-dimethylcyclohexa-3,5-diene-1,3-diamine is sourced from PubChem (CID 154997179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).