4-[(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine

C12H18FNO — CID 167101631

IUPAC4-[(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine
SMILESCC1=CCCC(F)=C1CN1CCOCC1
InChIInChI=1S/C12H18FNO/c1-10-3-2-4-12(13)11(10)9-14-5-7-15-8-6-14/h3H,2,4-9H2,1H3
InChIKeyYYQURNQDSCNTNF-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.28
Rot. Bonds2

About 4-[(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine

4-[(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine (PubChem CID 167101631) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-[(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine
PubChem CID167101631
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name4-[(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine
SMILESCC1=CCCC(F)=C1CN1CCOCC1
InChIInChI=1S/C12H18FNO/c1-10-3-2-4-12(13)11(10)9-14-5-7-15-8-6-14/h3H,2,4-9H2,1H3
InChIKeyYYQURNQDSCNTNF-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine?
The IUPAC name of 4-[(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine (CID 167101631) is 4-[(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine is CC1=CCCC(F)=C1CN1CCOCC1.
What is the InChIKey of 4-[(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine?
The InChIKey is YYQURNQDSCNTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-10-3-2-4-12(13)11(10)9-14-5-7-15-8-6-14/h3H,2,4-9H2,1H3.
What are the key properties of 4-[(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine?
4-[(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine has a molecular weight of 211.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)methyl]morpholine is sourced from PubChem (CID 167101631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).