(E)-2,2-difluoro-1-morpholin-4-yldec-4-en-1-one

C14H23F2NO2 — CID 168720239

IUPAC(E)-2,2-difluoro-1-morpholin-4-yldec-4-en-1-one
SMILESCCCCC/C=C/CC(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C14H23F2NO2/c1-2-3-4-5-6-7-8-14(15,16)13(18)17-9-11-19-12-10-17/h6-7H,2-5,8-12H2,1H3/b7-6+
InChIKeyYKWJFOIDRRTWGG-VOTSOKGWSA-N
MW275.34 g/mol
LogP3.01
Rot. Bonds7

About (E)-2,2-difluoro-1-morpholin-4-yldec-4-en-1-one

(E)-2,2-difluoro-1-morpholin-4-yldec-4-en-1-one (PubChem CID 168720239) 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-yldec-4-en-1-one.

Molecular Properties

Compound Name(E)-2,2-difluoro-1-morpholin-4-yldec-4-en-1-one
PubChem CID168720239
Molecular FormulaC14H23F2NO2
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name(E)-2,2-difluoro-1-morpholin-4-yldec-4-en-1-one
SMILESCCCCC/C=C/CC(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C14H23F2NO2/c1-2-3-4-5-6-7-8-14(15,16)13(18)17-9-11-19-12-10-17/h6-7H,2-5,8-12H2,1H3/b7-6+
InChIKeyYKWJFOIDRRTWGG-VOTSOKGWSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,2-difluoro-1-morpholin-4-ylpropan-1-one
CID 130600801
2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one
CID 139403937
N-morpholin-4-yloctadec-9-enamide
CID 91252017
4-[(Z)-non-2-enyl]morpholine
CID 101051916
(E)-1,1,1-trifluorodec-4-ene
CID 87295897
5-ethyl-2,2-difluoro-4-methylidene-1-morpholin-4-ylheptan-1-one
CID 168720301
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
4-undec-1-enylmorpholine
CID 163523688
(Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide
CID 169211001
1-(4-octadec-9-enoylpiperazin-1-yl)octadec-9-en-1-one
CID 54491403
(2R)-2-amino-2-methyldec-4-enoic acid
CID 87131405
(E)-1-morpholin-4-ylhex-2-en-1-one
CID 135042779

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-difluoro-1-morpholin-4-yldec-4-en-1-one?
The IUPAC name of (E)-2,2-difluoro-1-morpholin-4-yldec-4-en-1-one (CID 168720239) is (E)-2,2-difluoro-1-morpholin-4-yldec-4-en-1-one.
What is the SMILES notation for (E)-2,2-difluoro-1-morpholin-4-yldec-4-en-1-one?
The canonical SMILES for (E)-2,2-difluoro-1-morpholin-4-yldec-4-en-1-one is CCCCC/C=C/CC(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of (E)-2,2-difluoro-1-morpholin-4-yldec-4-en-1-one?
The InChIKey is YKWJFOIDRRTWGG-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H23F2NO2/c1-2-3-4-5-6-7-8-14(15,16)13(18)17-9-11-19-12-10-17/h6-7H,2-5,8-12H2,1H3/b7-6+.
What are the key properties of (E)-2,2-difluoro-1-morpholin-4-yldec-4-en-1-one?
(E)-2,2-difluoro-1-morpholin-4-yldec-4-en-1-one has a molecular weight of 275.34 g/mol, XLogP of 3.01, 7 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-yldec-4-en-1-one is sourced from PubChem (CID 168720239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).