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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Related Compounds

3-[(3E,8E)-7,10-difluorodeca-3,5,8-trien-4-yl]oxy-N-methyl-N-propylpropan-1-amine
CID 139566255
4-(6-Fluorocyclohexa-1,5-dien-1-yl)oxy-1-methylpiperidine
CID 144191902
N-ethyl-N-[2-[(2E,4E)-4-fluorohepta-2,4-dien-3-yl]oxyethyl]propan-1-amine
CID 144808749
3-(7-fluoro-5-methylcyclohepta-1,4,6-trien-1-yl)oxy-N,N-dimethylpropan-1-amine
CID 146247094
1-[3-(6-Fluorocyclohexa-1,5-dien-1-yl)oxypropyl]piperidine
CID 173134828
1-(3-Cyclohexa-1,5-dien-1-yloxy-2-fluoropropyl)pyrrolidine
CID 173717892
1-[3-[(3E,5E)-5-fluoronona-3,5-dien-4-yl]oxypropyl]pyrrolidine
CID 143437398
2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
CID 169112623
3-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylpropan-1-amine
CID 18470682
3-(2-methoxycyclohexa-1,3-dien-1-yl)oxy-N,N-dimethylpropan-1-amine
CID 141085642
N,N-dimethyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropan-1-amine
CID 142169632
(Z,2E)-3-ethoxy-2-ethylidene-N,N-dimethylpent-3-en-1-amine
CID 101202697

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).