(E)-2,2-difluoro-1-morpholin-4-yl-3-propylhept-4-en-1-one

C14H23F2NO2 — CID 168720242

IUPAC(E)-2,2-difluoro-1-morpholin-4-yl-3-propylhept-4-en-1-one
SMILESCC/C=C/C(CCC)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C14H23F2NO2/c1-3-5-7-12(6-4-2)14(15,16)13(18)17-8-10-19-11-9-17/h5,7,12H,3-4,6,8-11H2,1-2H3/b7-5+
InChIKeyBTHBNIGWECHQNP-FNORWQNLSA-N
MW275.34 g/mol
LogP2.86
Rot. Bonds6

About (E)-2,2-difluoro-1-morpholin-4-yl-3-propylhept-4-en-1-one

(E)-2,2-difluoro-1-morpholin-4-yl-3-propylhept-4-en-1-one (PubChem CID 168720242) has the molecular formula C14H23F2NO2 and a molecular weight of 275.34 g/mol. Its IUPAC name is (E)-2,2-difluoro-1-morpholin-4-yl-3-propylhept-4-en-1-one.

Molecular Properties

Compound Name(E)-2,2-difluoro-1-morpholin-4-yl-3-propylhept-4-en-1-one
PubChem CID168720242
Molecular FormulaC14H23F2NO2
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name(E)-2,2-difluoro-1-morpholin-4-yl-3-propylhept-4-en-1-one
SMILESCC/C=C/C(CCC)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C14H23F2NO2/c1-3-5-7-12(6-4-2)14(15,16)13(18)17-8-10-19-11-9-17/h5,7,12H,3-4,6,8-11H2,1-2H3/b7-5+
InChIKeyBTHBNIGWECHQNP-FNORWQNLSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-Difluoro-5-methyl-4-methylene-1-morpholinohexan-1-one
CID 168720300
5-Ethyl-2,2-difluoro-4-methylene-1-morpholinoheptan-1-one
CID 168720301
2,2-Difluoro-6-methyl-4-methylene-1-morpholinoheptan-1-one
CID 168720304
3-(Cyclohex-1-en-1-yl)-2,2-difluoro-1-morpholinopropan-1-one
CID 168720314
Cyclohex-3-en-1-yl(morpholino)methanone
CID 12760863
(E)-2,2-difluoro-1-morpholinodec-4-en-1-one
CID 168720239
(R)-2,2-difluoro-4-(4-methylcyclohex-3-en-1-yl)-1-morpholinopent-4-en-1-one
CID 168720250
(S)-5-(4,4-difluoro-5-morpholino-5-oxopent-1-en-2-yl)-2-methylcyclohex-2-en-1-one
CID 168720253
(E)-4-ethyl-2,2-difluoro-1-morpholinohex-4-en-1-one
CID 168720313
2,2-Difluoro-3,4-dimethyl-1-morpholinopent-4-en-1-one
CID 168720316
2-Cyclopent-2-en-1-yl-1-[2-(fluoromethyl)morpholin-4-yl]ethanone
CID 126794035
2-Cyclopent-2-en-1-yl-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 53509749

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-difluoro-1-morpholin-4-yl-3-propylhept-4-en-1-one?
The IUPAC name of (E)-2,2-difluoro-1-morpholin-4-yl-3-propylhept-4-en-1-one (CID 168720242) is (E)-2,2-difluoro-1-morpholin-4-yl-3-propylhept-4-en-1-one.
What is the SMILES notation for (E)-2,2-difluoro-1-morpholin-4-yl-3-propylhept-4-en-1-one?
The canonical SMILES for (E)-2,2-difluoro-1-morpholin-4-yl-3-propylhept-4-en-1-one is CC/C=C/C(CCC)C(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of (E)-2,2-difluoro-1-morpholin-4-yl-3-propylhept-4-en-1-one?
The InChIKey is BTHBNIGWECHQNP-FNORWQNLSA-N. The full InChI is InChI=1S/C14H23F2NO2/c1-3-5-7-12(6-4-2)14(15,16)13(18)17-8-10-19-11-9-17/h5,7,12H,3-4,6,8-11H2,1-2H3/b7-5+.
What are the key properties of (E)-2,2-difluoro-1-morpholin-4-yl-3-propylhept-4-en-1-one?
(E)-2,2-difluoro-1-morpholin-4-yl-3-propylhept-4-en-1-one has a molecular weight of 275.34 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-difluoro-1-morpholin-4-yl-3-propylhept-4-en-1-one is sourced from PubChem (CID 168720242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).