4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine

C16H22FN — CID 69078269

IUPAC4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine
SMILESCCN(CC)C1CC=C(C2=CCCC=C2)C=C1F
InChIInChI=1S/C16H22FN/c1-3-18(4-2)16-11-10-14(12-15(16)17)13-8-6-5-7-9-13/h6,8-10,12,16H,3-5,7,11H2,1-2H3
InChIKeyVGKFVEIUOZXAAF-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.16
Rot. Bonds4

About 4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine

4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine (PubChem CID 69078269) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine
PubChem CID69078269
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine
SMILESCCN(CC)C1CC=C(C2=CCCC=C2)C=C1F
InChIInChI=1S/C16H22FN/c1-3-18(4-2)16-11-10-14(12-15(16)17)13-8-6-5-7-9-13/h6,8-10,12,16H,3-5,7,11H2,1-2H3
InChIKeyVGKFVEIUOZXAAF-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine (CID 69078269) is 4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine is CCN(CC)C1CC=C(C2=CCCC=C2)C=C1F.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine?
The InChIKey is VGKFVEIUOZXAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c1-3-18(4-2)16-11-10-14(12-15(16)17)13-8-6-5-7-9-13/h6,8-10,12,16H,3-5,7,11H2,1-2H3.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine?
4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine has a molecular weight of 247.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 69078269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).