N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide;1,1,1,2,2,3-hexafluoropropane

C11H15F10NO — CID 91003035

IUPACN,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide;1,1,1,2,2,3-hexafluoropropane
SMILESCCN(CC)C(=O)C(CF)C(F)(F)F.FCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F4NO.C3H2F6/c1-3-13(4-2)7(14)6(5-9)8(10,11)12;4-1-2(5,6)3(7,8)9/h6H,3-5H2,1-2H3;1H2
InChIKeySVBZCEFDPWXLHY-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.16
Rot. Bonds5

About N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide;1,1,1,2,2,3-hexafluoropropane

N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide;1,1,1,2,2,3-hexafluoropropane (PubChem CID 91003035) has the molecular formula C11H15F10NO and a molecular weight of 367.23 g/mol. Its IUPAC name is N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide;1,1,1,2,2,3-hexafluoropropane.

Molecular Properties

Compound NameN,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide;1,1,1,2,2,3-hexafluoropropane
PubChem CID91003035
Molecular FormulaC11H15F10NO
Molecular Weight367.23 g/mol
Exact Mass367.10
IUPAC NameN,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide;1,1,1,2,2,3-hexafluoropropane
SMILESCCN(CC)C(=O)C(CF)C(F)(F)F.FCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F4NO.C3H2F6/c1-3-13(4-2)7(14)6(5-9)8(10,11)12;4-1-2(5,6)3(7,8)9/h6H,3-5H2,1-2H3;1H2
InChIKeySVBZCEFDPWXLHY-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide;1,1,1,2,2,3-hexafluoropropane?
The IUPAC name of N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide;1,1,1,2,2,3-hexafluoropropane (CID 91003035) is N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide;1,1,1,2,2,3-hexafluoropropane.
What is the SMILES notation for N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide;1,1,1,2,2,3-hexafluoropropane?
The canonical SMILES for N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide;1,1,1,2,2,3-hexafluoropropane is CCN(CC)C(=O)C(CF)C(F)(F)F.FCC(F)(F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide;1,1,1,2,2,3-hexafluoropropane?
The InChIKey is SVBZCEFDPWXLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO.C3H2F6/c1-3-13(4-2)7(14)6(5-9)8(10,11)12;4-1-2(5,6)3(7,8)9/h6H,3-5H2,1-2H3;1H2.
What are the key properties of N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide;1,1,1,2,2,3-hexafluoropropane?
N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide;1,1,1,2,2,3-hexafluoropropane has a molecular weight of 367.23 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,3,3-trifluoro-2-(fluoromethyl)propanamide;1,1,1,2,2,3-hexafluoropropane is sourced from PubChem (CID 91003035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).