5-fluoro-N,3-dimethylcyclohexen-1-amine

C8H14FN — CID 170185936

IUPAC5-fluoro-N,3-dimethylcyclohexen-1-amine
SMILESCNC1=CC(C)CC(F)C1
InChIInChI=1S/C8H14FN/c1-6-3-7(9)5-8(4-6)10-2/h4,6-7,10H,3,5H2,1-2H3
InChIKeyKWTYFRQVTUNZTK-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.86
Rot. Bonds1

About 5-fluoro-N,3-dimethylcyclohexen-1-amine

5-fluoro-N,3-dimethylcyclohexen-1-amine (PubChem CID 170185936) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 5-fluoro-N,3-dimethylcyclohexen-1-amine.

Molecular Properties

Compound Name5-fluoro-N,3-dimethylcyclohexen-1-amine
PubChem CID170185936
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name5-fluoro-N,3-dimethylcyclohexen-1-amine
SMILESCNC1=CC(C)CC(F)C1
InChIInChI=1S/C8H14FN/c1-6-3-7(9)5-8(4-6)10-2/h4,6-7,10H,3,5H2,1-2H3
InChIKeyKWTYFRQVTUNZTK-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,3-dimethylcyclohexen-1-amine?
The IUPAC name of 5-fluoro-N,3-dimethylcyclohexen-1-amine (CID 170185936) is 5-fluoro-N,3-dimethylcyclohexen-1-amine.
What is the SMILES notation for 5-fluoro-N,3-dimethylcyclohexen-1-amine?
The canonical SMILES for 5-fluoro-N,3-dimethylcyclohexen-1-amine is CNC1=CC(C)CC(F)C1.
What is the InChIKey of 5-fluoro-N,3-dimethylcyclohexen-1-amine?
The InChIKey is KWTYFRQVTUNZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-6-3-7(9)5-8(4-6)10-2/h4,6-7,10H,3,5H2,1-2H3.
What are the key properties of 5-fluoro-N,3-dimethylcyclohexen-1-amine?
5-fluoro-N,3-dimethylcyclohexen-1-amine has a molecular weight of 143.20 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,3-dimethylcyclohexen-1-amine is sourced from PubChem (CID 170185936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).