3,3,3-trifluoro-N,N-bis(prop-2-ynyl)-2-(trifluoromethyl)propanamide

C10H7F6NO — CID 615937

IUPAC3,3,3-trifluoro-N,N-bis(prop-2-ynyl)-2-(trifluoromethyl)propanamide
SMILESC#CCN(CC#C)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H7F6NO/c1-3-5-17(6-4-2)8(18)7(9(11,12)13)10(14,15)16/h1-2,7H,5-6H2
InChIKeyIHBMCKHVUCDNQL-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.82
Rot. Bonds3

About 3,3,3-trifluoro-N,N-bis(prop-2-ynyl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N,N-bis(prop-2-ynyl)-2-(trifluoromethyl)propanamide (PubChem CID 615937) has the molecular formula C10H7F6NO and a molecular weight of 271.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,N-bis(prop-2-ynyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N,N-bis(prop-2-ynyl)-2-(trifluoromethyl)propanamide
PubChem CID615937
Molecular FormulaC10H7F6NO
Molecular Weight271.16 g/mol
Exact Mass271.04
IUPAC Name3,3,3-trifluoro-N,N-bis(prop-2-ynyl)-2-(trifluoromethyl)propanamide
SMILESC#CCN(CC#C)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H7F6NO/c1-3-5-17(6-4-2)8(18)7(9(11,12)13)10(14,15)16/h1-2,7H,5-6H2
InChIKeyIHBMCKHVUCDNQL-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748458
N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide
CID 22091035
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60758717
N,N-diethyl-3,3,3-trifluoro-2-methylpropanamide
CID 87943413
N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide;1,1,1,2,2,3-hexafluoropropane
CID 91003035
2-fluoro-N,2-dimethyl-N-prop-2-ynylpropanamide
CID 130173054
2-methyl-N,N-bis(2,2,2-trifluoroethyl)propanamide
CID 137435557
3,3,3-trifluoro-N,N-dipropyl-2-(trifluoromethyl)propanamide
CID 2748459
N,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide
CID 61381353
2,2,2-trifluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 63374882
2,2,2-trifluoro-N-propyl-N-prop-2-ynylacetamide
CID 78941955
3,3,3-trifluoro-N-propyl-N-prop-2-ynylpropanamide
CID 78971073

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N,N-bis(prop-2-ynyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N,N-bis(prop-2-ynyl)-2-(trifluoromethyl)propanamide (CID 615937) is 3,3,3-trifluoro-N,N-bis(prop-2-ynyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N,N-bis(prop-2-ynyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N,N-bis(prop-2-ynyl)-2-(trifluoromethyl)propanamide is C#CCN(CC#C)C(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N,N-bis(prop-2-ynyl)-2-(trifluoromethyl)propanamide?
The InChIKey is IHBMCKHVUCDNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO/c1-3-5-17(6-4-2)8(18)7(9(11,12)13)10(14,15)16/h1-2,7H,5-6H2.
What are the key properties of 3,3,3-trifluoro-N,N-bis(prop-2-ynyl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N,N-bis(prop-2-ynyl)-2-(trifluoromethyl)propanamide has a molecular weight of 271.16 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,N-bis(prop-2-ynyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 615937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).