1-(3,3-difluorocyclohexyl)-3-morpholin-3-ylpropan-2-one

C13H21F2NO2 — CID 114225587

IUPAC1-(3,3-difluorocyclohexyl)-3-morpholin-3-ylpropan-2-one
SMILESO=C(CC1CCCC(F)(F)C1)CC1COCCN1
InChIInChI=1S/C13H21F2NO2/c14-13(15)3-1-2-10(8-13)6-12(17)7-11-9-18-5-4-16-11/h10-11,16H,1-9H2
InChIKeyWEOQHCWUFSKIOE-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.15
Rot. Bonds4

About 1-(3,3-difluorocyclohexyl)-3-morpholin-3-ylpropan-2-one

1-(3,3-difluorocyclohexyl)-3-morpholin-3-ylpropan-2-one (PubChem CID 114225587) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-3-morpholin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-3-morpholin-3-ylpropan-2-one
PubChem CID114225587
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC Name1-(3,3-difluorocyclohexyl)-3-morpholin-3-ylpropan-2-one
SMILESO=C(CC1CCCC(F)(F)C1)CC1COCCN1
InChIInChI=1S/C13H21F2NO2/c14-13(15)3-1-2-10(8-13)6-12(17)7-11-9-18-5-4-16-11/h10-11,16H,1-9H2
InChIKeyWEOQHCWUFSKIOE-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Morpholin-3-yl)cyclohexan-1-one hydrochloride
CID 71756316
2-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-2-yl]cyclohexan-1-one
CID 79541009
2-(3,3-Difluorocyclohexyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 114225547
2-(3,3-Difluorocyclohexyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 114225578
6,6,6-Trifluoro-1-morpholin-3-ylhexan-2-one
CID 116595781
5,5,5-Trifluoro-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
CID 171950150
2-(Morpholin-3-yl)cyclohexan-1-one
CID 71756317
2-(Morpholin-3-yl)cyclopentan-1-one hydrochloride
CID 71758685
2-(Morpholin-3-yl)cyclopentan-1-one
CID 71758686
(2S)-2-[(3R)-morpholin-3-yl]cyclohexan-1-one
CID 96581628
(2R)-2-[(3R)-morpholin-3-yl]cyclohexan-1-one
CID 96581629
(2S)-2-[(3S)-morpholin-3-yl]cyclohexan-1-one
CID 96581630

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-3-morpholin-3-ylpropan-2-one?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-3-morpholin-3-ylpropan-2-one (CID 114225587) is 1-(3,3-difluorocyclohexyl)-3-morpholin-3-ylpropan-2-one.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-3-morpholin-3-ylpropan-2-one?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-3-morpholin-3-ylpropan-2-one is O=C(CC1CCCC(F)(F)C1)CC1COCCN1.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-3-morpholin-3-ylpropan-2-one?
The InChIKey is WEOQHCWUFSKIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO2/c14-13(15)3-1-2-10(8-13)6-12(17)7-11-9-18-5-4-16-11/h10-11,16H,1-9H2.
What are the key properties of 1-(3,3-difluorocyclohexyl)-3-morpholin-3-ylpropan-2-one?
1-(3,3-difluorocyclohexyl)-3-morpholin-3-ylpropan-2-one has a molecular weight of 261.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-3-morpholin-3-ylpropan-2-one is sourced from PubChem (CID 114225587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).