6-[3-(dimethylamino)propyl]-4-fluorocyclohexa-2,4-dien-1-one

C11H16FNO — CID 141037902

IUPAC6-[3-(dimethylamino)propyl]-4-fluorocyclohexa-2,4-dien-1-one
SMILESCN(C)CCCC1C=C(F)C=CC1=O
InChIInChI=1S/C11H16FNO/c1-13(2)7-3-4-9-8-10(12)5-6-11(9)14/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyVFBHRCMPSWWPLK-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.94
Rot. Bonds4

About 6-[3-(dimethylamino)propyl]-4-fluorocyclohexa-2,4-dien-1-one

6-[3-(dimethylamino)propyl]-4-fluorocyclohexa-2,4-dien-1-one (PubChem CID 141037902) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propyl]-4-fluorocyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-[3-(dimethylamino)propyl]-4-fluorocyclohexa-2,4-dien-1-one
PubChem CID141037902
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name6-[3-(dimethylamino)propyl]-4-fluorocyclohexa-2,4-dien-1-one
SMILESCN(C)CCCC1C=C(F)C=CC1=O
InChIInChI=1S/C11H16FNO/c1-13(2)7-3-4-9-8-10(12)5-6-11(9)14/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyVFBHRCMPSWWPLK-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[3-(dimethylamino)propyl]-4-fluorocyclohexa-2,4-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propyl]-4-fluorocyclohexa-2,4-dien-1-one?
The IUPAC name of 6-[3-(dimethylamino)propyl]-4-fluorocyclohexa-2,4-dien-1-one (CID 141037902) is 6-[3-(dimethylamino)propyl]-4-fluorocyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-[3-(dimethylamino)propyl]-4-fluorocyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-[3-(dimethylamino)propyl]-4-fluorocyclohexa-2,4-dien-1-one is CN(C)CCCC1C=C(F)C=CC1=O.
What is the InChIKey of 6-[3-(dimethylamino)propyl]-4-fluorocyclohexa-2,4-dien-1-one?
The InChIKey is VFBHRCMPSWWPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-13(2)7-3-4-9-8-10(12)5-6-11(9)14/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 6-[3-(dimethylamino)propyl]-4-fluorocyclohexa-2,4-dien-1-one?
6-[3-(dimethylamino)propyl]-4-fluorocyclohexa-2,4-dien-1-one has a molecular weight of 197.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propyl]-4-fluorocyclohexa-2,4-dien-1-one is sourced from PubChem (CID 141037902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).