3-(6-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylpropan-1-amine

C11H18FNO — CID 173195907

IUPAC3-(6-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOC1=CCCC=C1F
InChIInChI=1S/C11H18FNO/c1-13(2)8-5-9-14-11-7-4-3-6-10(11)12/h6-7H,3-5,8-9H2,1-2H3
InChIKeyZUTOQISRGDJOIW-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.49
Rot. Bonds5

About 3-(6-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylpropan-1-amine

3-(6-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylpropan-1-amine (PubChem CID 173195907) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-(6-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(6-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylpropan-1-amine
PubChem CID173195907
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name3-(6-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOC1=CCCC=C1F
InChIInChI=1S/C11H18FNO/c1-13(2)8-5-9-14-11-7-4-3-6-10(11)12/h6-7H,3-5,8-9H2,1-2H3
InChIKeyZUTOQISRGDJOIW-UHFFFAOYSA-N
XLogP2.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(6-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylpropan-1-amine (CID 173195907) is 3-(6-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(6-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(6-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylpropan-1-amine is CN(C)CCCOC1=CCCC=C1F.
What is the InChIKey of 3-(6-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylpropan-1-amine?
The InChIKey is ZUTOQISRGDJOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-13(2)8-5-9-14-11-7-4-3-6-10(11)12/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 3-(6-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylpropan-1-amine?
3-(6-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylpropan-1-amine has a molecular weight of 199.27 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 173195907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).