N-(4-cyanoheptan-4-yl)-3,3,3-trifluoropropanamide

C11H17F3N2O — CID 71917187

IUPACN-(4-cyanoheptan-4-yl)-3,3,3-trifluoropropanamide
SMILESCCCC(C#N)(CCC)NC(=O)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-3-5-10(8-15,6-4-2)16-9(17)7-11(12,13)14/h3-7H2,1-2H3,(H,16,17)
InChIKeyWORBGHOYVZXCNL-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.92
Rot. Bonds6

About N-(4-cyanoheptan-4-yl)-3,3,3-trifluoropropanamide

N-(4-cyanoheptan-4-yl)-3,3,3-trifluoropropanamide (PubChem CID 71917187) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-(4-cyanoheptan-4-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(4-cyanoheptan-4-yl)-3,3,3-trifluoropropanamide
PubChem CID71917187
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC NameN-(4-cyanoheptan-4-yl)-3,3,3-trifluoropropanamide
SMILESCCCC(C#N)(CCC)NC(=O)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O/c1-3-5-10(8-15,6-4-2)16-9(17)7-11(12,13)14/h3-7H2,1-2H3,(H,16,17)
InChIKeyWORBGHOYVZXCNL-UHFFFAOYSA-N
XLogP2.92
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanoheptan-4-yl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(4-cyanoheptan-4-yl)-3,3,3-trifluoropropanamide (CID 71917187) is N-(4-cyanoheptan-4-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(4-cyanoheptan-4-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(4-cyanoheptan-4-yl)-3,3,3-trifluoropropanamide is CCCC(C#N)(CCC)NC(=O)CC(F)(F)F.
What is the InChIKey of N-(4-cyanoheptan-4-yl)-3,3,3-trifluoropropanamide?
The InChIKey is WORBGHOYVZXCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-3-5-10(8-15,6-4-2)16-9(17)7-11(12,13)14/h3-7H2,1-2H3,(H,16,17).
What are the key properties of N-(4-cyanoheptan-4-yl)-3,3,3-trifluoropropanamide?
N-(4-cyanoheptan-4-yl)-3,3,3-trifluoropropanamide has a molecular weight of 250.26 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanoheptan-4-yl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 71917187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).