1,1,1,2,3,3,3-heptafluoropropan-2-yl 3-morpholin-4-ylpropanoate

C10H12F7NO3 — CID 58855506

IUPAC1,1,1,2,3,3,3-heptafluoropropan-2-yl 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F7NO3/c11-8(9(12,13)14,10(15,16)17)21-7(19)1-2-18-3-5-20-6-4-18/h1-6H2
InChIKeyVMVFLBHUDCTULR-UHFFFAOYSA-N
MW327.20 g/mol
LogP2.04
Rot. Bonds4

About 1,1,1,2,3,3,3-heptafluoropropan-2-yl 3-morpholin-4-ylpropanoate

1,1,1,2,3,3,3-heptafluoropropan-2-yl 3-morpholin-4-ylpropanoate (PubChem CID 58855506) has the molecular formula C10H12F7NO3 and a molecular weight of 327.20 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoropropan-2-yl 3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoropropan-2-yl 3-morpholin-4-ylpropanoate
PubChem CID58855506
Molecular FormulaC10H12F7NO3
Molecular Weight327.20 g/mol
Exact Mass327.07
IUPAC Name1,1,1,2,3,3,3-heptafluoropropan-2-yl 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F7NO3/c11-8(9(12,13)14,10(15,16)17)21-7(19)1-2-18-3-5-20-6-4-18/h1-6H2
InChIKeyVMVFLBHUDCTULR-UHFFFAOYSA-N
XLogP2.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Morpholinepropanoic acid, methyl ester
CID 101373
N-(2-Trifluoroacetoxypropyl)morpholine
CID 58855493
2-Morpholin-4-ylethyl 2,2,2-trifluoroacetate
CID 17857588
2-[Difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid
CID 51063041
3-Morpholin-4-ylpropanoate;2,2,2-trifluoroacetaldehyde
CID 54081626
Morpholin-4-ylmethyl 2,2-difluoropropanoate
CID 58341547
2-Morpholin-4-ylethyl 2,2-difluoropropanoate
CID 58341558
1-Morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
CID 58855371
1-Morpholin-4-ylpropan-2-yl 2,2-difluoroacetate
CID 58855390
2-Morpholinoethyl 2,2-bis(trifluoromethyl)propionate
CID 58855417
2,2,3,3-Tetrafluoropropyl 3-morpholin-4-ylpropanoate
CID 58855425
2-Morpholin-4-ylethyl 2,2-difluoroacetate
CID 58855427

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoropropan-2-yl 3-morpholin-4-ylpropanoate?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoropropan-2-yl 3-morpholin-4-ylpropanoate (CID 58855506) is 1,1,1,2,3,3,3-heptafluoropropan-2-yl 3-morpholin-4-ylpropanoate.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoropropan-2-yl 3-morpholin-4-ylpropanoate?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoropropan-2-yl 3-morpholin-4-ylpropanoate is O=C(CCN1CCOCC1)OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoropropan-2-yl 3-morpholin-4-ylpropanoate?
The InChIKey is VMVFLBHUDCTULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F7NO3/c11-8(9(12,13)14,10(15,16)17)21-7(19)1-2-18-3-5-20-6-4-18/h1-6H2.
What are the key properties of 1,1,1,2,3,3,3-heptafluoropropan-2-yl 3-morpholin-4-ylpropanoate?
1,1,1,2,3,3,3-heptafluoropropan-2-yl 3-morpholin-4-ylpropanoate has a molecular weight of 327.20 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoropropan-2-yl 3-morpholin-4-ylpropanoate is sourced from PubChem (CID 58855506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).