N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide

C11H11F12NO — CID 5199727

IUPACN,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
SMILESCCN(CC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H11F12NO/c1-3-24(4-2)6(25)8(16,17)10(20,21)11(22,23)9(18,19)7(14,15)5(12)13/h5H,3-4H2,1-2H3
InChIKeyXHKLCGDQLOXJRR-UHFFFAOYSA-N
MW401.19 g/mol
LogP4.30
Rot. Bonds8

About N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide

N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide (PubChem CID 5199727) has the molecular formula C11H11F12NO and a molecular weight of 401.19 g/mol. Its IUPAC name is N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide.

Molecular Properties

Compound NameN,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
PubChem CID5199727
Molecular FormulaC11H11F12NO
Molecular Weight401.19 g/mol
Exact Mass401.06
IUPAC NameN,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
SMILESCCN(CC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H11F12NO/c1-3-24(4-2)6(25)8(16,17)10(20,21)11(22,23)9(18,19)7(14,15)5(12)13/h5H,3-4H2,1-2H3
InChIKeyXHKLCGDQLOXJRR-UHFFFAOYSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.19
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-didodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 4686943
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-octadecafluorodecanoic acid
CID 23136187
azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoic acid
CID 122236832
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl iodide
CID 2776135
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononaneperoxoate
CID 23112153
3-chloro-N,N-diethyl-2,2,3-trifluoropropanamide
CID 158689027
fluoro 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-triacontafluorohexadecanoate
CID 87145953
N,N-diethyl-2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanamide
CID 154161384
1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9-hexadecafluorononan-5-one
CID 87966898
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide
CID 2748490
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-di(nonyl)nonanamide
CID 3387075
2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorononoxy)hexanoic acid
CID 163324597

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide?
The IUPAC name of N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide (CID 5199727) is N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide.
What is the SMILES notation for N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide?
The canonical SMILES for N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide is CCN(CC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide?
The InChIKey is XHKLCGDQLOXJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F12NO/c1-3-24(4-2)6(25)8(16,17)10(20,21)11(22,23)9(18,19)7(14,15)5(12)13/h5H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide?
N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide has a molecular weight of 401.19 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide is sourced from PubChem (CID 5199727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).