N-[3-(dimethylamino)propyl]-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide

C11H14F10N2O2 — CID 160669563

IUPACN-[3-(dimethylamino)propyl]-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
SMILESCN(C)CCCNC(=O)C(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F10N2O2/c1-23(2)5-3-4-22-7(24)6(8(12,13)14)25-11(20,21)9(15,16)10(17,18)19/h6H,3-5H2,1-2H3,(H,22,24)
InChIKeyFSBYCZPXWJDMSG-UHFFFAOYSA-N
MW396.23 g/mol
LogP2.79
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide

N-[3-(dimethylamino)propyl]-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide (PubChem CID 160669563) has the molecular formula C11H14F10N2O2 and a molecular weight of 396.23 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
PubChem CID160669563
Molecular FormulaC11H14F10N2O2
Molecular Weight396.23 g/mol
Exact Mass396.09
IUPAC NameN-[3-(dimethylamino)propyl]-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
SMILESCN(C)CCCNC(=O)C(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F10N2O2/c1-23(2)5-3-4-22-7(24)6(8(12,13)14)25-11(20,21)9(15,16)10(17,18)19/h6H,3-5H2,1-2H3,(H,22,24)
InChIKeyFSBYCZPXWJDMSG-UHFFFAOYSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
N-[3-(dimethylamino)propyl]-2,2-difluoroacetamide
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CID 62729377
3-[bis(trifluoromethyl)amino]-N-[3-(dimethylamino)propyl]-2,2,3,3-tetrafluoropropanamide
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CID 130379782
2,2-dimethylpropyl 7-[3-(dimethylamino)propylamino]-2-ethyl-6-methyl-7-oxoheptanoate
CID 118200596
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene
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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide (CID 160669563) is N-[3-(dimethylamino)propyl]-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide is CN(C)CCCNC(=O)C(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The InChIKey is FSBYCZPXWJDMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F10N2O2/c1-23(2)5-3-4-22-7(24)6(8(12,13)14)25-11(20,21)9(15,16)10(17,18)19/h6H,3-5H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(dimethylamino)propyl]-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
N-[3-(dimethylamino)propyl]-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide has a molecular weight of 396.23 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide is sourced from PubChem (CID 160669563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).