4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]morpholine

C11H16FNO — CID 173278766

IUPAC4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]morpholine
SMILESFC1=CC=C(CN2CCOCC2)CC1
InChIInChI=1S/C11H16FNO/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1,3H,2,4-9H2
InChIKeyFLADWEKVCVJCFB-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.89
Rot. Bonds2

About 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]morpholine

4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]morpholine (PubChem CID 173278766) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]morpholine
PubChem CID173278766
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]morpholine
SMILESFC1=CC=C(CN2CCOCC2)CC1
InChIInChI=1S/C11H16FNO/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1,3H,2,4-9H2
InChIKeyFLADWEKVCVJCFB-UHFFFAOYSA-N
XLogP1.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(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-[(2E,4Z)-3,4-dimethyl-2-(2,2,3,3,3-pentafluoropropyl)hepta-2,4-dien-6-ynyl]morpholine
CID 89355237
4-[1-(4-Fluorocyclohexa-1,3-dien-1-yl)propyl]morpholine
CID 117943608
4-[(6E)-6-(1-fluoroethylidene)cyclohexen-1-yl]morpholine
CID 146608601
4-[3-(6,7-Difluoro-5-methylcyclohepta-1,4,6-trien-1-yl)propyl]morpholine
CID 155442399
4-[(6E)-6-(2,2,2-trifluoroethylidene)cyclohexen-1-yl]morpholine
CID 155737880
4-[(4-Fluoro-5-iodocyclohexa-1,3-dien-1-yl)methyl]morpholine
CID 163416044
4-(2-Fluoro-4-hexa-1,5-dien-2-ylcyclohexa-1,3-dien-1-yl)morpholine
CID 166796477
4-[(E,4E)-4-(1-fluoroethylidene)hept-2-en-3-yl]morpholine
CID 166838533

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]morpholine?
The IUPAC name of 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]morpholine (CID 173278766) is 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]morpholine is FC1=CC=C(CN2CCOCC2)CC1.
What is the InChIKey of 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]morpholine?
The InChIKey is FLADWEKVCVJCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1,3H,2,4-9H2.
What are the key properties of 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]morpholine?
4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]morpholine has a molecular weight of 197.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]morpholine is sourced from PubChem (CID 173278766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).