N-ethyl-3,3,3-trifluoro-N-(2,2,2-trifluoroethyl)propanamide;phosphoric acid

C7H12F6NO5P — CID 118123540

IUPACN-ethyl-3,3,3-trifluoro-N-(2,2,2-trifluoroethyl)propanamide;phosphoric acid
SMILESCCN(CC(F)(F)F)C(=O)CC(F)(F)F.O=P(O)(O)O
InChIInChI=1S/C7H9F6NO.H3O4P/c1-2-14(4-7(11,12)13)5(15)3-6(8,9)10;1-5(2,3)4/h2-4H2,1H3;(H3,1,2,3,4)
InChIKeyKHUUORKVBKEAPG-UHFFFAOYSA-N
MW335.14 g/mol
LogP1.42
Rot. Bonds3

About N-ethyl-3,3,3-trifluoro-N-(2,2,2-trifluoroethyl)propanamide;phosphoric acid

N-ethyl-3,3,3-trifluoro-N-(2,2,2-trifluoroethyl)propanamide;phosphoric acid (PubChem CID 118123540) has the molecular formula C7H12F6NO5P and a molecular weight of 335.14 g/mol. Its IUPAC name is N-ethyl-3,3,3-trifluoro-N-(2,2,2-trifluoroethyl)propanamide;phosphoric acid.

Molecular Properties

Compound NameN-ethyl-3,3,3-trifluoro-N-(2,2,2-trifluoroethyl)propanamide;phosphoric acid
PubChem CID118123540
Molecular FormulaC7H12F6NO5P
Molecular Weight335.14 g/mol
Exact Mass335.04
IUPAC NameN-ethyl-3,3,3-trifluoro-N-(2,2,2-trifluoroethyl)propanamide;phosphoric acid
SMILESCCN(CC(F)(F)F)C(=O)CC(F)(F)F.O=P(O)(O)O
InChIInChI=1S/C7H9F6NO.H3O4P/c1-2-14(4-7(11,12)13)5(15)3-6(8,9)10;1-5(2,3)4/h2-4H2,1H3;(H3,1,2,3,4)
InChIKeyKHUUORKVBKEAPG-UHFFFAOYSA-N
XLogP1.42
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 63308729
3-cyclopentyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78858621
N-ethyl-2-(2-methoxyethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79281708
methyl 3-[ethyl(3,3,3-trifluoropropanoyl)amino]propanoate
CID 61010157
N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858762
N-ethyl-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55048264
N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 78866720
N,N-diethyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)butanamide
CID 122239622
N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78858682
N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78858653
N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858628
3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide
CID 61235446

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3,3-trifluoro-N-(2,2,2-trifluoroethyl)propanamide;phosphoric acid?
The IUPAC name of N-ethyl-3,3,3-trifluoro-N-(2,2,2-trifluoroethyl)propanamide;phosphoric acid (CID 118123540) is N-ethyl-3,3,3-trifluoro-N-(2,2,2-trifluoroethyl)propanamide;phosphoric acid.
What is the SMILES notation for N-ethyl-3,3,3-trifluoro-N-(2,2,2-trifluoroethyl)propanamide;phosphoric acid?
The canonical SMILES for N-ethyl-3,3,3-trifluoro-N-(2,2,2-trifluoroethyl)propanamide;phosphoric acid is CCN(CC(F)(F)F)C(=O)CC(F)(F)F.O=P(O)(O)O.
What is the InChIKey of N-ethyl-3,3,3-trifluoro-N-(2,2,2-trifluoroethyl)propanamide;phosphoric acid?
The InChIKey is KHUUORKVBKEAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6NO.H3O4P/c1-2-14(4-7(11,12)13)5(15)3-6(8,9)10;1-5(2,3)4/h2-4H2,1H3;(H3,1,2,3,4).
What are the key properties of N-ethyl-3,3,3-trifluoro-N-(2,2,2-trifluoroethyl)propanamide;phosphoric acid?
N-ethyl-3,3,3-trifluoro-N-(2,2,2-trifluoroethyl)propanamide;phosphoric acid has a molecular weight of 335.14 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3,3-trifluoro-N-(2,2,2-trifluoroethyl)propanamide;phosphoric acid is sourced from PubChem (CID 118123540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).