2,2-difluoro-1-morpholin-4-yl-2-(1-phosphanylcyclohexyl)ethanone

C12H20F2NO2P — CID 122518555

IUPAC2,2-difluoro-1-morpholin-4-yl-2-(1-phosphanylcyclohexyl)ethanone
SMILESO=C(N1CCOCC1)C(F)(F)C1(P)CCCCC1
InChIInChI=1S/C12H20F2NO2P/c13-12(14,11(18)4-2-1-3-5-11)10(16)15-6-8-17-9-7-15/h1-9,18H2
InChIKeyGLEDTRJSFDFWGU-UHFFFAOYSA-N
MW279.27 g/mol
LogP2.06
Rot. Bonds2

About 2,2-difluoro-1-morpholin-4-yl-2-(1-phosphanylcyclohexyl)ethanone

2,2-difluoro-1-morpholin-4-yl-2-(1-phosphanylcyclohexyl)ethanone (PubChem CID 122518555) has the molecular formula C12H20F2NO2P and a molecular weight of 279.27 g/mol. Its IUPAC name is 2,2-difluoro-1-morpholin-4-yl-2-(1-phosphanylcyclohexyl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-morpholin-4-yl-2-(1-phosphanylcyclohexyl)ethanone
PubChem CID122518555
Molecular FormulaC12H20F2NO2P
Molecular Weight279.27 g/mol
Exact Mass279.12
IUPAC Name2,2-difluoro-1-morpholin-4-yl-2-(1-phosphanylcyclohexyl)ethanone
SMILESO=C(N1CCOCC1)C(F)(F)C1(P)CCCCC1
InChIInChI=1S/C12H20F2NO2P/c13-12(14,11(18)4-2-1-3-5-11)10(16)15-6-8-17-9-7-15/h1-9,18H2
InChIKeyGLEDTRJSFDFWGU-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexanecarboxylic acid, morpholide
CID 531815
3-Cyclohexyl-1-(morpholin-4-yl)propan-1-one
CID 887288
2-Cyclohexyl-1-(morpholin-4-yl)ethanone
CID 885486
N-(2-ethoxyethyl)-N-ethyl-1,2,2,6,6-pentafluorocyclohexane-1-carboxamide
CID 18684107
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 58855435
(4-Fluorocyclohexyl)-morpholin-4-ylmethanone
CID 70855888
1,3,3,4,4,5,5-heptafluoro-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 89623949
2-Fluoro-4-[4-(morpholine-4-carbonyl)cyclohexyl]butanal
CID 153977336
[3,5-Bis(trifluoromethyl)cyclohexyl]-morpholin-4-ylmethanone
CID 167109493
Morpholin-4-yl-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)methanone
CID 4185577
3,3,3-Trifluoro-1-[3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one
CID 45230011
Morpholin-4-yl-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932448

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-morpholin-4-yl-2-(1-phosphanylcyclohexyl)ethanone?
The IUPAC name of 2,2-difluoro-1-morpholin-4-yl-2-(1-phosphanylcyclohexyl)ethanone (CID 122518555) is 2,2-difluoro-1-morpholin-4-yl-2-(1-phosphanylcyclohexyl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-morpholin-4-yl-2-(1-phosphanylcyclohexyl)ethanone?
The canonical SMILES for 2,2-difluoro-1-morpholin-4-yl-2-(1-phosphanylcyclohexyl)ethanone is O=C(N1CCOCC1)C(F)(F)C1(P)CCCCC1.
What is the InChIKey of 2,2-difluoro-1-morpholin-4-yl-2-(1-phosphanylcyclohexyl)ethanone?
The InChIKey is GLEDTRJSFDFWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2NO2P/c13-12(14,11(18)4-2-1-3-5-11)10(16)15-6-8-17-9-7-15/h1-9,18H2.
What are the key properties of 2,2-difluoro-1-morpholin-4-yl-2-(1-phosphanylcyclohexyl)ethanone?
2,2-difluoro-1-morpholin-4-yl-2-(1-phosphanylcyclohexyl)ethanone has a molecular weight of 279.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-morpholin-4-yl-2-(1-phosphanylcyclohexyl)ethanone is sourced from PubChem (CID 122518555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).