N,N-diethyl-2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanamide

C10H10F9NO2 — CID 154161384

IUPACN,N-diethyl-2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanamide
SMILESCCN(CC)C(=O)C(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C10H10F9NO2/c1-3-20(4-2)7(21)8(14,15)9(16,17)10(18,19)22-6(13)5(11)12/h3-4H2,1-2H3
InChIKeySQZIDPRFJYEEJS-UHFFFAOYSA-N
MW347.18 g/mol
LogP3.77
Rot. Bonds7

About N,N-diethyl-2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanamide

N,N-diethyl-2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanamide (PubChem CID 154161384) has the molecular formula C10H10F9NO2 and a molecular weight of 347.18 g/mol. Its IUPAC name is N,N-diethyl-2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanamide.

Molecular Properties

Compound NameN,N-diethyl-2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanamide
PubChem CID154161384
Molecular FormulaC10H10F9NO2
Molecular Weight347.18 g/mol
Exact Mass347.06
IUPAC NameN,N-diethyl-2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanamide
SMILESCCN(CC)C(=O)C(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C10H10F9NO2/c1-3-20(4-2)7(21)8(14,15)9(16,17)10(18,19)22-6(13)5(11)12/h3-4H2,1-2H3
InChIKeySQZIDPRFJYEEJS-UHFFFAOYSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanoate
CID 11403991
2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanoyl chloride
CID 131719956
1,1,2,3,3,4,4,5,5-nonafluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene
CID 14496010
2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2-trifluoroethenoxy)hexanoyl fluoride
CID 100950644
N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
CID 5199727
methyl 2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2-trifluoroethenoxy)hexanoate
CID 11058590
1,1,2,2,3,3,4,4-octafluoro-1-(1,2,2-trifluoroethenoxy)pentane
CID 88551399
2,2,3,3,4,4,5,5,6,6-decafluoro-N-methyl-6-(1,2,2-trifluoroethenoxy)hexanamide
CID 175997151
1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane
CID 88901327
(2S)-N,N-diethyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
CID 162881836
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane
CID 19837350
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluoro-31-(1,2,2-trifluoroethenoxy)hentriacontane
CID 175893093

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanamide?
The IUPAC name of N,N-diethyl-2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanamide (CID 154161384) is N,N-diethyl-2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanamide.
What is the SMILES notation for N,N-diethyl-2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanamide?
The canonical SMILES for N,N-diethyl-2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanamide is CCN(CC)C(=O)C(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F.
What is the InChIKey of N,N-diethyl-2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanamide?
The InChIKey is SQZIDPRFJYEEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F9NO2/c1-3-20(4-2)7(21)8(14,15)9(16,17)10(18,19)22-6(13)5(11)12/h3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanamide?
N,N-diethyl-2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanamide has a molecular weight of 347.18 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanamide is sourced from PubChem (CID 154161384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).