2-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-5-methylmorpholine

C12H18FNO — CID 70875326

IUPAC2-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-5-methylmorpholine
SMILESCC1COC(CC2C=CC(F)=CC2)CN1
InChIInChI=1S/C12H18FNO/c1-9-8-15-12(7-14-9)6-10-2-4-11(13)5-3-10/h2,4-5,9-10,12,14H,3,6-8H2,1H3
InChIKeyJIDBBNBWEANSAB-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.18
Rot. Bonds2

About 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-5-methylmorpholine

2-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-5-methylmorpholine (PubChem CID 70875326) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-5-methylmorpholine.

Molecular Properties

Compound Name2-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-5-methylmorpholine
PubChem CID70875326
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-5-methylmorpholine
SMILESCC1COC(CC2C=CC(F)=CC2)CN1
InChIInChI=1S/C12H18FNO/c1-9-8-15-12(7-14-9)6-10-2-4-11(13)5-3-10/h2,4-5,9-10,12,14H,3,6-8H2,1H3
InChIKeyJIDBBNBWEANSAB-UHFFFAOYSA-N
XLogP2.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-5-methylmorpholine?
The IUPAC name of 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-5-methylmorpholine (CID 70875326) is 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-5-methylmorpholine.
What is the SMILES notation for 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-5-methylmorpholine?
The canonical SMILES for 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-5-methylmorpholine is CC1COC(CC2C=CC(F)=CC2)CN1.
What is the InChIKey of 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-5-methylmorpholine?
The InChIKey is JIDBBNBWEANSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9-8-15-12(7-14-9)6-10-2-4-11(13)5-3-10/h2,4-5,9-10,12,14H,3,6-8H2,1H3.
What are the key properties of 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-5-methylmorpholine?
2-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-5-methylmorpholine has a molecular weight of 211.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-5-methylmorpholine is sourced from PubChem (CID 70875326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).