4-[3-(difluoromethoxymethyl)-3-methylcyclohexa-1,5-dien-1-yl]morpholine

C13H19F2NO2 — CID 174917125

IUPAC4-[3-(difluoromethoxymethyl)-3-methylcyclohexa-1,5-dien-1-yl]morpholine
SMILESCC1(COC(F)F)C=C(N2CCOCC2)C=CC1
InChIInChI=1S/C13H19F2NO2/c1-13(10-18-12(14)15)4-2-3-11(9-13)16-5-7-17-8-6-16/h2-3,9,12H,4-8,10H2,1H3
InChIKeyGYTCTBBCYSIZQJ-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.41
Rot. Bonds4

About 4-[3-(difluoromethoxymethyl)-3-methylcyclohexa-1,5-dien-1-yl]morpholine

4-[3-(difluoromethoxymethyl)-3-methylcyclohexa-1,5-dien-1-yl]morpholine (PubChem CID 174917125) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-[3-(difluoromethoxymethyl)-3-methylcyclohexa-1,5-dien-1-yl]morpholine.

Molecular Properties

Compound Name4-[3-(difluoromethoxymethyl)-3-methylcyclohexa-1,5-dien-1-yl]morpholine
PubChem CID174917125
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name4-[3-(difluoromethoxymethyl)-3-methylcyclohexa-1,5-dien-1-yl]morpholine
SMILESCC1(COC(F)F)C=C(N2CCOCC2)C=CC1
InChIInChI=1S/C13H19F2NO2/c1-13(10-18-12(14)15)4-2-3-11(9-13)16-5-7-17-8-6-16/h2-3,9,12H,4-8,10H2,1H3
InChIKeyGYTCTBBCYSIZQJ-UHFFFAOYSA-N
XLogP2.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethoxymethyl)-3-methylcyclohexa-1,5-dien-1-yl]morpholine?
The IUPAC name of 4-[3-(difluoromethoxymethyl)-3-methylcyclohexa-1,5-dien-1-yl]morpholine (CID 174917125) is 4-[3-(difluoromethoxymethyl)-3-methylcyclohexa-1,5-dien-1-yl]morpholine.
What is the SMILES notation for 4-[3-(difluoromethoxymethyl)-3-methylcyclohexa-1,5-dien-1-yl]morpholine?
The canonical SMILES for 4-[3-(difluoromethoxymethyl)-3-methylcyclohexa-1,5-dien-1-yl]morpholine is CC1(COC(F)F)C=C(N2CCOCC2)C=CC1.
What is the InChIKey of 4-[3-(difluoromethoxymethyl)-3-methylcyclohexa-1,5-dien-1-yl]morpholine?
The InChIKey is GYTCTBBCYSIZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-13(10-18-12(14)15)4-2-3-11(9-13)16-5-7-17-8-6-16/h2-3,9,12H,4-8,10H2,1H3.
What are the key properties of 4-[3-(difluoromethoxymethyl)-3-methylcyclohexa-1,5-dien-1-yl]morpholine?
4-[3-(difluoromethoxymethyl)-3-methylcyclohexa-1,5-dien-1-yl]morpholine has a molecular weight of 259.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethoxymethyl)-3-methylcyclohexa-1,5-dien-1-yl]morpholine is sourced from PubChem (CID 174917125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).