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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Related Compounds

4-[(2E)-2,5-dimethylhexa-2,5-dienyl]morpholine
CID 12485223
(e)-4-(2-Methyl-6-methyleneocta-2,7-dien-1-yl)morpholine
CID 137797148
(z)-4-(2-Methyl-6-methyleneocta-2,7-dien-1-yl)morpholine
CID 137797149
4-[(3,4-Difluorocyclohexa-1,5-dien-1-yl)methyl]morpholine
CID 70924381
4-[[(6S)-2-fluoro-6-methyl-5-propan-2-ylcyclohexa-1,3-dien-1-yl]methyl]morpholine
CID 71194659
4-[1-(4-Fluorocyclohexa-1,3-dien-1-yl)propyl]morpholine
CID 117943608
(2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine
CID 141086244
4-[(6E)-6-(1-fluoroethylidene)cyclohexen-1-yl]morpholine
CID 146608601
4-[(E)-3-fluoro-2-methylhex-3-enyl]morpholine
CID 155177842
4-[(E)-5-fluoro-3-methylhept-4-en-3-yl]morpholine
CID 155178039
4-[3-(6,7-Difluoro-5-methylcyclohepta-1,4,6-trien-1-yl)propyl]morpholine
CID 155442399
6-Fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine
CID 162439986

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).