(2Z)-N,N-diethyl-2-(2,2,2-trifluoroethylidene)hexanamide

C12H20F3NO — CID 102136232

IUPAC(2Z)-N,N-diethyl-2-(2,2,2-trifluoroethylidene)hexanamide
SMILESCCCC/C(=C/C(F)(F)F)C(=O)N(CC)CC
InChIInChI=1S/C12H20F3NO/c1-4-7-8-10(9-12(13,14)15)11(17)16(5-2)6-3/h9H,4-8H2,1-3H3/b10-9-
InChIKeyMGLOEMRLCYEKSN-KTKRTIGZSA-N
MW251.29 g/mol
LogP3.53
Rot. Bonds6

About (2Z)-N,N-diethyl-2-(2,2,2-trifluoroethylidene)hexanamide

(2Z)-N,N-diethyl-2-(2,2,2-trifluoroethylidene)hexanamide (PubChem CID 102136232) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is (2Z)-N,N-diethyl-2-(2,2,2-trifluoroethylidene)hexanamide.

Molecular Properties

Compound Name(2Z)-N,N-diethyl-2-(2,2,2-trifluoroethylidene)hexanamide
PubChem CID102136232
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name(2Z)-N,N-diethyl-2-(2,2,2-trifluoroethylidene)hexanamide
SMILESCCCC/C(=C/C(F)(F)F)C(=O)N(CC)CC
InChIInChI=1S/C12H20F3NO/c1-4-7-8-10(9-12(13,14)15)11(17)16(5-2)6-3/h9H,4-8H2,1-3H3/b10-9-
InChIKeyMGLOEMRLCYEKSN-KTKRTIGZSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N,N-diethyl-2-(2,2,2-trifluoroethylidene)hexanamide?
The IUPAC name of (2Z)-N,N-diethyl-2-(2,2,2-trifluoroethylidene)hexanamide (CID 102136232) is (2Z)-N,N-diethyl-2-(2,2,2-trifluoroethylidene)hexanamide.
What is the SMILES notation for (2Z)-N,N-diethyl-2-(2,2,2-trifluoroethylidene)hexanamide?
The canonical SMILES for (2Z)-N,N-diethyl-2-(2,2,2-trifluoroethylidene)hexanamide is CCCC/C(=C/C(F)(F)F)C(=O)N(CC)CC.
What is the InChIKey of (2Z)-N,N-diethyl-2-(2,2,2-trifluoroethylidene)hexanamide?
The InChIKey is MGLOEMRLCYEKSN-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-4-7-8-10(9-12(13,14)15)11(17)16(5-2)6-3/h9H,4-8H2,1-3H3/b10-9-.
What are the key properties of (2Z)-N,N-diethyl-2-(2,2,2-trifluoroethylidene)hexanamide?
(2Z)-N,N-diethyl-2-(2,2,2-trifluoroethylidene)hexanamide has a molecular weight of 251.29 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,N-diethyl-2-(2,2,2-trifluoroethylidene)hexanamide is sourced from PubChem (CID 102136232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).