2-fluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine

C8H12FN — CID 142875853

IUPAC2-fluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine
SMILESCNC1CC=C(C)C=C1F
InChIInChI=1S/C8H12FN/c1-6-3-4-8(10-2)7(9)5-6/h3,5,8,10H,4H2,1-2H3
InChIKeyQFMCJJWDMFVBAV-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.78
Rot. Bonds1

About 2-fluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine

2-fluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 142875853) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-fluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-fluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID142875853
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name2-fluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine
SMILESCNC1CC=C(C)C=C1F
InChIInChI=1S/C8H12FN/c1-6-3-4-8(10-2)7(9)5-6/h3,5,8,10H,4H2,1-2H3
InChIKeyQFMCJJWDMFVBAV-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 2-fluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-fluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine (CID 142875853) is 2-fluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-fluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-fluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine is CNC1CC=C(C)C=C1F.
What is the InChIKey of 2-fluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is QFMCJJWDMFVBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-6-3-4-8(10-2)7(9)5-6/h3,5,8,10H,4H2,1-2H3.
What are the key properties of 2-fluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine?
2-fluoro-N,4-dimethylcyclohexa-2,4-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 2-fluoro-N,4-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 142875853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).