2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide

C14H16F12N2O2 — CID 87731675

IUPAC2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide
SMILESCN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H16F12N2O2/c1-27(2-3-28-4-6-30-7-5-28)9(29)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)8(15)16/h8H,2-7H2,1H3
InChIKeyOKCUWSHODKZRGP-UHFFFAOYSA-N
MW472.27 g/mol
LogP3.22
Rot. Bonds9

About 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide (PubChem CID 87731675) has the molecular formula C14H16F12N2O2 and a molecular weight of 472.27 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide
PubChem CID87731675
Molecular FormulaC14H16F12N2O2
Molecular Weight472.27 g/mol
Exact Mass472.10
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide
SMILESCN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H16F12N2O2/c1-27(2-3-28-4-6-30-7-5-28)9(29)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)8(15)16/h8H,2-7H2,1H3
InChIKeyOKCUWSHODKZRGP-UHFFFAOYSA-N
XLogP3.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide with MolForge

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Related Compounds

N-Decanoylmorpholine
CID 94801
N-Octanoylmorpholine
CID 94795
4-Nonanoylmorpholine
CID 79182
1-(4-Morpholinyl)-1-undecanone
CID 98730
2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-(morpholin-4-yl)heptan-1-one
CID 4668344
4-[2,2,3,3,4,4,5,5-Octafluoro-6-(4-morpholinyl)-6-oxohexanoyl]morpholine
CID 2063397
4-Heptanoylmorpholine
CID 99197
2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]heptan-1-one;hydrochloride
CID 138396375
2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]heptan-1-one
CID 138396376
2-Fluoro-1-morpholinononan-1-one
CID 135391113
2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide
CID 58855372
2,2,3,3,4,4,5,5,7,7,8,8,8-tridecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)octanamide
CID 58855374

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide (CID 87731675) is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide is CN(CCN1CCOCC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide?
The InChIKey is OKCUWSHODKZRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F12N2O2/c1-27(2-3-28-4-6-30-7-5-28)9(29)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)8(15)16/h8H,2-7H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide?
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide has a molecular weight of 472.27 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-methyl-N-(2-morpholin-4-ylethyl)heptanamide is sourced from PubChem (CID 87731675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).