N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-3-carboxamide

C9H16F2N2O3 — CID 107479287

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-3-carboxamide
SMILESO=C(C1COCCN1)N(CCO)CC(F)F
InChIInChI=1S/C9H16F2N2O3/c10-8(11)5-13(2-3-14)9(15)7-6-16-4-1-12-7/h7-8,12,14H,1-6H2
InChIKeyMQILSEPOROBCIG-UHFFFAOYSA-N
MW238.23 g/mol
LogP-0.94
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-3-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-3-carboxamide (PubChem CID 107479287) has the molecular formula C9H16F2N2O3 and a molecular weight of 238.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-3-carboxamide
PubChem CID107479287
Molecular FormulaC9H16F2N2O3
Molecular Weight238.23 g/mol
Exact Mass238.11
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-3-carboxamide
SMILESO=C(C1COCCN1)N(CCO)CC(F)F
InChIInChI=1S/C9H16F2N2O3/c10-8(11)5-13(2-3-14)9(15)7-6-16-4-1-12-7/h7-8,12,14H,1-6H2
InChIKeyMQILSEPOROBCIG-UHFFFAOYSA-N
XLogP-0.94
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53609803
N-(2-sulfanylethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 177680511
(3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 67429832
2,2,2-Trifluoro-N-((1-(2-(2-hydroxyethoxy)ethyl)piperazin-2-yl)methyl)acetamide
CID 86711150
(2S)-3-(difluoromethoxy)-2-[[(2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanoic acid
CID 118236152
2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 122605534
4-amino-2,2-difluoro-3-hydroxy-N-(2-morpholin-4-ylethyl)butanamide
CID 134200015
(6S)-6-[(2-methylpropan-2-yl)oxymethyl]-1-(trifluoromethyl)piperazine-2,5-dione
CID 146435298
N-(3-fluoro-2-oxopropyl)-4-methylmorpholine-3-carboxamide
CID 155418120
[(2S)-1-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]-3-methoxy-1-oxopropan-2-yl]carbamic acid
CID 174210606
[1-[4-(2-Fluoro-2-methylpropyl)piperazin-1-yl]-3-methoxy-1-oxopropan-2-yl]carbamic acid
CID 174210608
(2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoic acid
CID 176956082

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-3-carboxamide (CID 107479287) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-3-carboxamide is O=C(C1COCCN1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-3-carboxamide?
The InChIKey is MQILSEPOROBCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O3/c10-8(11)5-13(2-3-14)9(15)7-6-16-4-1-12-7/h7-8,12,14H,1-6H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-3-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-3-carboxamide has a molecular weight of 238.23 g/mol, XLogP of -0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-3-carboxamide is sourced from PubChem (CID 107479287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).