2,2-difluoropropyl 2-morpholin-4-ylcyclohexane-1-carboxylate

C14H23F2NO3 — CID 58341566

IUPAC2,2-difluoropropyl 2-morpholin-4-ylcyclohexane-1-carboxylate
SMILESCC(F)(F)COC(=O)C1CCCCC1N1CCOCC1
InChIInChI=1S/C14H23F2NO3/c1-14(15,16)10-20-13(18)11-4-2-3-5-12(11)17-6-8-19-9-7-17/h11-12H,2-10H2,1H3
InChIKeyZYJCXEFQHMXEEG-UHFFFAOYSA-N
MW291.34 g/mol
LogP2.08
Rot. Bonds4

About 2,2-difluoropropyl 2-morpholin-4-ylcyclohexane-1-carboxylate

2,2-difluoropropyl 2-morpholin-4-ylcyclohexane-1-carboxylate (PubChem CID 58341566) has the molecular formula C14H23F2NO3 and a molecular weight of 291.34 g/mol. Its IUPAC name is 2,2-difluoropropyl 2-morpholin-4-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2,2-difluoropropyl 2-morpholin-4-ylcyclohexane-1-carboxylate
PubChem CID58341566
Molecular FormulaC14H23F2NO3
Molecular Weight291.34 g/mol
Exact Mass291.16
IUPAC Name2,2-difluoropropyl 2-morpholin-4-ylcyclohexane-1-carboxylate
SMILESCC(F)(F)COC(=O)C1CCCCC1N1CCOCC1
InChIInChI=1S/C14H23F2NO3/c1-14(15,16)10-20-13(18)11-4-2-3-5-12(11)17-6-8-19-9-7-17/h11-12H,2-10H2,1H3
InChIKeyZYJCXEFQHMXEEG-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Methylpiperidin-1-yl)propyl cyclohexanecarboxylate
CID 115672
2,2-Difluoropropyl 2-piperidin-1-ylcyclohexane-1-carboxylate
CID 58341580
2,2-Difluoropropyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 58341582
(4,4,5,5,6,6,7,7,7-Nonafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate
CID 58855503
2,2-Difluoropropyl 2-thiomorpholin-4-ylcyclohexane-1-carboxylate
CID 70848239
1,1-Difluoro-2-(2-morpholin-4-ylcyclohexanecarbonyl)oxyethanesulfonic acid
CID 88869560
(5,5,7,7,7-Pentafluoro-1-morpholin-4-ylheptan-2-yl) cyclohexanecarboxylate
CID 89623963
Ethyl 1-propan-2-yl-4-(trifluoromethyl)piperidine-2-carboxylate
CID 141674487
ethyl (3S,5R,6S)-5,6-difluoro-2-(2-methylpropyl)-2-azabicyclo[2.2.2]octane-3-carboxylate
CID 44183278
Methyl 2-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]acetate
CID 61361826
2-[1-Morpholin-4-yl-4-(trifluoromethyl)cyclohexyl]acetic acid
CID 64757960
2-[1-[Methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]cyclohexyl]acetic acid
CID 65243037

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropyl 2-morpholin-4-ylcyclohexane-1-carboxylate?
The IUPAC name of 2,2-difluoropropyl 2-morpholin-4-ylcyclohexane-1-carboxylate (CID 58341566) is 2,2-difluoropropyl 2-morpholin-4-ylcyclohexane-1-carboxylate.
What is the SMILES notation for 2,2-difluoropropyl 2-morpholin-4-ylcyclohexane-1-carboxylate?
The canonical SMILES for 2,2-difluoropropyl 2-morpholin-4-ylcyclohexane-1-carboxylate is CC(F)(F)COC(=O)C1CCCCC1N1CCOCC1.
What is the InChIKey of 2,2-difluoropropyl 2-morpholin-4-ylcyclohexane-1-carboxylate?
The InChIKey is ZYJCXEFQHMXEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO3/c1-14(15,16)10-20-13(18)11-4-2-3-5-12(11)17-6-8-19-9-7-17/h11-12H,2-10H2,1H3.
What are the key properties of 2,2-difluoropropyl 2-morpholin-4-ylcyclohexane-1-carboxylate?
2,2-difluoropropyl 2-morpholin-4-ylcyclohexane-1-carboxylate has a molecular weight of 291.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropyl 2-morpholin-4-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 58341566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).