4-[6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexen-1-yl]morpholine

C13H15F6NO — CID 155737878

IUPAC4-[6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexen-1-yl]morpholine
SMILESFC(F)(F)C(=C1CCCC=C1N1CCOCC1)C(F)(F)F
InChIInChI=1S/C13H15F6NO/c14-12(15,16)11(13(17,18)19)9-3-1-2-4-10(9)20-5-7-21-8-6-20/h4H,1-3,5-8H2
InChIKeySVOWYQUGBKPUNO-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.81
Rot. Bonds1

About 4-[6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexen-1-yl]morpholine

4-[6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexen-1-yl]morpholine (PubChem CID 155737878) has the molecular formula C13H15F6NO and a molecular weight of 315.26 g/mol. Its IUPAC name is 4-[6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexen-1-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexen-1-yl]morpholine
PubChem CID155737878
Molecular FormulaC13H15F6NO
Molecular Weight315.26 g/mol
Exact Mass315.11
IUPAC Name4-[6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexen-1-yl]morpholine
SMILESFC(F)(F)C(=C1CCCC=C1N1CCOCC1)C(F)(F)F
InChIInChI=1S/C13H15F6NO/c14-12(15,16)11(13(17,18)19)9-3-1-2-4-10(9)20-5-7-21-8-6-20/h4H,1-3,5-8H2
InChIKeySVOWYQUGBKPUNO-UHFFFAOYSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexen-1-yl]morpholine?
The IUPAC name of 4-[6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexen-1-yl]morpholine (CID 155737878) is 4-[6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexen-1-yl]morpholine.
What is the SMILES notation for 4-[6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexen-1-yl]morpholine?
The canonical SMILES for 4-[6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexen-1-yl]morpholine is FC(F)(F)C(=C1CCCC=C1N1CCOCC1)C(F)(F)F.
What is the InChIKey of 4-[6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexen-1-yl]morpholine?
The InChIKey is SVOWYQUGBKPUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6NO/c14-12(15,16)11(13(17,18)19)9-3-1-2-4-10(9)20-5-7-21-8-6-20/h4H,1-3,5-8H2.
What are the key properties of 4-[6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexen-1-yl]morpholine?
4-[6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexen-1-yl]morpholine has a molecular weight of 315.26 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclohexen-1-yl]morpholine is sourced from PubChem (CID 155737878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).