4-[2-[4-(difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine

C14H21F2NO2 — CID 163636515

IUPAC4-[2-[4-(difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine
SMILESCC1=C(C(F)F)C=CC(OCCN2CCOCC2)C1
InChIInChI=1S/C14H21F2NO2/c1-11-10-12(2-3-13(11)14(15)16)19-9-6-17-4-7-18-8-5-17/h2-3,12,14H,4-10H2,1H3
InChIKeyIAOORMDENISHIX-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.25
Rot. Bonds5

About 4-[2-[4-(difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine

4-[2-[4-(difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine (PubChem CID 163636515) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 4-[2-[4-(difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine
PubChem CID163636515
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name4-[2-[4-(difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine
SMILESCC1=C(C(F)F)C=CC(OCCN2CCOCC2)C1
InChIInChI=1S/C14H21F2NO2/c1-11-10-12(2-3-13(11)14(15)16)19-9-6-17-4-7-18-8-5-17/h2-3,12,14H,4-10H2,1H3
InChIKeyIAOORMDENISHIX-UHFFFAOYSA-N
XLogP2.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[4-(difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine (CID 163636515) is 4-[2-[4-(difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[4-(difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine is CC1=C(C(F)F)C=CC(OCCN2CCOCC2)C1.
What is the InChIKey of 4-[2-[4-(difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine?
The InChIKey is IAOORMDENISHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-11-10-12(2-3-13(11)14(15)16)19-9-6-17-4-7-18-8-5-17/h2-3,12,14H,4-10H2,1H3.
What are the key properties of 4-[2-[4-(difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine?
4-[2-[4-(difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine has a molecular weight of 273.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(difluoromethyl)-5-methylcyclohexa-2,4-dien-1-yl]oxyethyl]morpholine is sourced from PubChem (CID 163636515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).