5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine

C8H12FN — CID 89209299

IUPAC5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine
SMILESCNC1=CC=C(C)C(F)C1
InChIInChI=1S/C8H12FN/c1-6-3-4-7(10-2)5-8(6)9/h3-4,8,10H,5H2,1-2H3
InChIKeyMDYDPTJKDSJFOK-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.78
Rot. Bonds1

About 5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine

5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 89209299) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID89209299
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine
SMILESCNC1=CC=C(C)C(F)C1
InChIInChI=1S/C8H12FN/c1-6-3-4-7(10-2)5-8(6)9/h3-4,8,10H,5H2,1-2H3
InChIKeyMDYDPTJKDSJFOK-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine (CID 89209299) is 5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine is CNC1=CC=C(C)C(F)C1.
What is the InChIKey of 5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is MDYDPTJKDSJFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-6-3-4-7(10-2)5-8(6)9/h3-4,8,10H,5H2,1-2H3.
What are the key properties of 5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine?
5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89209299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).