3-[bis(trifluoromethyl)amino]-N-[3-(dimethylamino)propyl]-2,2,3,3-tetrafluoropropanamide

C10H13F10N3O — CID 101146688

IUPAC3-[bis(trifluoromethyl)amino]-N-[3-(dimethylamino)propyl]-2,2,3,3-tetrafluoropropanamide
SMILESCN(C)CCCNC(=O)C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F10N3O/c1-22(2)5-3-4-21-6(24)7(11,12)8(13,14)23(9(15,16)17)10(18,19)20/h3-5H2,1-2H3,(H,21,24)
InChIKeyVJLNYRVGSPXESA-UHFFFAOYSA-N
MW381.21 g/mol
LogP2.62
Rot. Bonds7

About 3-[bis(trifluoromethyl)amino]-N-[3-(dimethylamino)propyl]-2,2,3,3-tetrafluoropropanamide

3-[bis(trifluoromethyl)amino]-N-[3-(dimethylamino)propyl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 101146688) has the molecular formula C10H13F10N3O and a molecular weight of 381.21 g/mol. Its IUPAC name is 3-[bis(trifluoromethyl)amino]-N-[3-(dimethylamino)propyl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound Name3-[bis(trifluoromethyl)amino]-N-[3-(dimethylamino)propyl]-2,2,3,3-tetrafluoropropanamide
PubChem CID101146688
Molecular FormulaC10H13F10N3O
Molecular Weight381.21 g/mol
Exact Mass381.09
IUPAC Name3-[bis(trifluoromethyl)amino]-N-[3-(dimethylamino)propyl]-2,2,3,3-tetrafluoropropanamide
SMILESCN(C)CCCNC(=O)C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F10N3O/c1-22(2)5-3-4-21-6(24)7(11,12)8(13,14)23(9(15,16)17)10(18,19)20/h3-5H2,1-2H3,(H,21,24)
InChIKeyVJLNYRVGSPXESA-UHFFFAOYSA-N
XLogP2.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-2-methyl-2-methylphosphanylpropanamide
CID 176552020
N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide
CID 103600605
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 62729377
2-bromo-N-[4-(dimethylamino)butyl]-2-methylpropanamide
CID 114328555
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108960555
N-[3-(dimethylamino)propyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959445
2-[methyl-[3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]amino]ethanesulfonic acid
CID 23563877
N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide
CID 90205971
N-[3-(dimethylamino)propyl]-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
CID 160669563
N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108957385
N-[3-(dimethylamino)propyl]-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propanamide
CID 132595800

Frequently Asked Questions

What is the IUPAC name of 3-[bis(trifluoromethyl)amino]-N-[3-(dimethylamino)propyl]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of 3-[bis(trifluoromethyl)amino]-N-[3-(dimethylamino)propyl]-2,2,3,3-tetrafluoropropanamide (CID 101146688) is 3-[bis(trifluoromethyl)amino]-N-[3-(dimethylamino)propyl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for 3-[bis(trifluoromethyl)amino]-N-[3-(dimethylamino)propyl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for 3-[bis(trifluoromethyl)amino]-N-[3-(dimethylamino)propyl]-2,2,3,3-tetrafluoropropanamide is CN(C)CCCNC(=O)C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-[bis(trifluoromethyl)amino]-N-[3-(dimethylamino)propyl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is VJLNYRVGSPXESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F10N3O/c1-22(2)5-3-4-21-6(24)7(11,12)8(13,14)23(9(15,16)17)10(18,19)20/h3-5H2,1-2H3,(H,21,24).
What are the key properties of 3-[bis(trifluoromethyl)amino]-N-[3-(dimethylamino)propyl]-2,2,3,3-tetrafluoropropanamide?
3-[bis(trifluoromethyl)amino]-N-[3-(dimethylamino)propyl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 381.21 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(trifluoromethyl)amino]-N-[3-(dimethylamino)propyl]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 101146688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).