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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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).