4-ethyl-6-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-amine

C10H16FN — CID 177000540

IUPAC4-ethyl-6-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-amine
SMILESCCC1=C(C)C(F)C(N)C=C1C
InChIInChI=1S/C10H16FN/c1-4-8-6(2)5-9(12)10(11)7(8)3/h5,9-10H,4,12H2,1-3H3
InChIKeyGEIAWKWHPBREFE-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.34
Rot. Bonds1

About 4-ethyl-6-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-amine

4-ethyl-6-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 177000540) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 4-ethyl-6-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-ethyl-6-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID177000540
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name4-ethyl-6-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-amine
SMILESCCC1=C(C)C(F)C(N)C=C1C
InChIInChI=1S/C10H16FN/c1-4-8-6(2)5-9(12)10(11)7(8)3/h5,9-10H,4,12H2,1-3H3
InChIKeyGEIAWKWHPBREFE-UHFFFAOYSA-N
XLogP2.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-ethyl-6-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-amine (CID 177000540) is 4-ethyl-6-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-ethyl-6-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-ethyl-6-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-amine is CCC1=C(C)C(F)C(N)C=C1C.
What is the InChIKey of 4-ethyl-6-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is GEIAWKWHPBREFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-4-8-6(2)5-9(12)10(11)7(8)3/h5,9-10H,4,12H2,1-3H3.
What are the key properties of 4-ethyl-6-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-amine?
4-ethyl-6-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-fluoro-3,5-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 177000540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).