5-fluoro-3-N,3-N-dimethylcyclohex-4-ene-1,3-diamine

C8H15FN2 — CID 89039036

IUPAC5-fluoro-3-N,3-N-dimethylcyclohex-4-ene-1,3-diamine
SMILESCN(C)C1C=C(F)CC(N)C1
InChIInChI=1S/C8H15FN2/c1-11(2)8-4-6(9)3-7(10)5-8/h4,7-8H,3,5,10H2,1-2H3
InChIKeyYRPBWKARZLVOGR-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.89
Rot. Bonds1

About 5-fluoro-3-N,3-N-dimethylcyclohex-4-ene-1,3-diamine

5-fluoro-3-N,3-N-dimethylcyclohex-4-ene-1,3-diamine (PubChem CID 89039036) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 5-fluoro-3-N,3-N-dimethylcyclohex-4-ene-1,3-diamine.

Molecular Properties

Compound Name5-fluoro-3-N,3-N-dimethylcyclohex-4-ene-1,3-diamine
PubChem CID89039036
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name5-fluoro-3-N,3-N-dimethylcyclohex-4-ene-1,3-diamine
SMILESCN(C)C1C=C(F)CC(N)C1
InChIInChI=1S/C8H15FN2/c1-11(2)8-4-6(9)3-7(10)5-8/h4,7-8H,3,5,10H2,1-2H3
InChIKeyYRPBWKARZLVOGR-UHFFFAOYSA-N
XLogP0.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-N,3-N-dimethylcyclohex-4-ene-1,3-diamine?
The IUPAC name of 5-fluoro-3-N,3-N-dimethylcyclohex-4-ene-1,3-diamine (CID 89039036) is 5-fluoro-3-N,3-N-dimethylcyclohex-4-ene-1,3-diamine.
What is the SMILES notation for 5-fluoro-3-N,3-N-dimethylcyclohex-4-ene-1,3-diamine?
The canonical SMILES for 5-fluoro-3-N,3-N-dimethylcyclohex-4-ene-1,3-diamine is CN(C)C1C=C(F)CC(N)C1.
What is the InChIKey of 5-fluoro-3-N,3-N-dimethylcyclohex-4-ene-1,3-diamine?
The InChIKey is YRPBWKARZLVOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c1-11(2)8-4-6(9)3-7(10)5-8/h4,7-8H,3,5,10H2,1-2H3.
What are the key properties of 5-fluoro-3-N,3-N-dimethylcyclohex-4-ene-1,3-diamine?
5-fluoro-3-N,3-N-dimethylcyclohex-4-ene-1,3-diamine has a molecular weight of 158.22 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-N,3-N-dimethylcyclohex-4-ene-1,3-diamine is sourced from PubChem (CID 89039036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).