3-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-amine

C8H12FN — CID 163574636

IUPAC3-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC(C)C(N)C=C1F
InChIInChI=1S/C8H12FN/c1-5-3-6(2)8(10)4-7(5)9/h3-4,6,8H,10H2,1-2H3
InChIKeyGCJPNPHRBFRDLQ-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.76
Rot. Bonds

About 3-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-amine

3-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 163574636) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 3-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name3-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID163574636
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name3-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC(C)C(N)C=C1F
InChIInChI=1S/C8H12FN/c1-5-3-6(2)8(10)4-7(5)9/h3-4,6,8H,10H2,1-2H3
InChIKeyGCJPNPHRBFRDLQ-UHFFFAOYSA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 3-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-amine (CID 163574636) is 3-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 3-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 3-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-amine is CC1=CC(C)C(N)C=C1F.
What is the InChIKey of 3-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is GCJPNPHRBFRDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-5-3-6(2)8(10)4-7(5)9/h3-4,6,8H,10H2,1-2H3.
What are the key properties of 3-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-amine?
3-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4,6-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 163574636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).