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

C8H12FN — CID 144692134

IUPAC4-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine
SMILESCNC1=C(C)C=C(F)CC1
InChIInChI=1S/C8H12FN/c1-6-5-7(9)3-4-8(6)10-2/h5,10H,3-4H2,1-2H3
InChIKeyMHXWBPVYZAROKD-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.13
Rot. Bonds1

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

4-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 144692134) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 4-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID144692134
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name4-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine
SMILESCNC1=C(C)C=C(F)CC1
InChIInChI=1S/C8H12FN/c1-6-5-7(9)3-4-8(6)10-2/h5,10H,3-4H2,1-2H3
InChIKeyMHXWBPVYZAROKD-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine (CID 144692134) is 4-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine is CNC1=C(C)C=C(F)CC1.
What is the InChIKey of 4-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is MHXWBPVYZAROKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-6-5-7(9)3-4-8(6)10-2/h5,10H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine?
4-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,2-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 144692134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).