2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine

C10H16FNO — CID 169112623

IUPAC2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
SMILESCN(C)CCOC1=C(F)CCC=C1
InChIInChI=1S/C10H16FNO/c1-12(2)7-8-13-10-6-4-3-5-9(10)11/h4,6H,3,5,7-8H2,1-2H3
InChIKeyZCJKOFSYEGOWKP-UHFFFAOYSA-N
MW185.24 g/mol
LogP2.10
Rot. Bonds4

About 2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine

2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine (PubChem CID 169112623) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
PubChem CID169112623
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
SMILESCN(C)CCOC1=C(F)CCC=C1
InChIInChI=1S/C10H16FNO/c1-12(2)7-8-13-10-6-4-3-5-9(10)11/h4,6H,3,5,7-8H2,1-2H3
InChIKeyZCJKOFSYEGOWKP-UHFFFAOYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine?
The IUPAC name of 2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine (CID 169112623) is 2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine is CN(C)CCOC1=C(F)CCC=C1.
What is the InChIKey of 2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine?
The InChIKey is ZCJKOFSYEGOWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-12(2)7-8-13-10-6-4-3-5-9(10)11/h4,6H,3,5,7-8H2,1-2H3.
What are the key properties of 2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine?
2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine has a molecular weight of 185.24 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine is sourced from PubChem (CID 169112623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).