1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine

C10H16FNO — CID 89276342

IUPAC1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
SMILESCCOC1=C(CNC)CC(F)C=C1
InChIInChI=1S/C10H16FNO/c1-3-13-10-5-4-9(11)6-8(10)7-12-2/h4-5,9,12H,3,6-7H2,1-2H3
InChIKeyMJSGVOLIOUBLST-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.79
Rot. Bonds4

About 1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine

1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine (PubChem CID 89276342) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
PubChem CID89276342
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
SMILESCCOC1=C(CNC)CC(F)C=C1
InChIInChI=1S/C10H16FNO/c1-3-13-10-5-4-9(11)6-8(10)7-12-2/h4-5,9,12H,3,6-7H2,1-2H3
InChIKeyMJSGVOLIOUBLST-UHFFFAOYSA-N
XLogP1.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine (CID 89276342) is 1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine is CCOC1=C(CNC)CC(F)C=C1.
What is the InChIKey of 1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine?
The InChIKey is MJSGVOLIOUBLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-3-13-10-5-4-9(11)6-8(10)7-12-2/h4-5,9,12H,3,6-7H2,1-2H3.
What are the key properties of 1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine?
1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine has a molecular weight of 185.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine is sourced from PubChem (CID 89276342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).