N-(2,2-dimethylpenta-3,4-dienyl)-3,3,3-trifluoropropanamide

C10H14F3NO — CID 123845207

IUPACN-(2,2-dimethylpenta-3,4-dienyl)-3,3,3-trifluoropropanamide
SMILESC=C=CC(C)(C)CNC(=O)CC(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-4-5-9(2,3)7-14-8(15)6-10(11,12)13/h5H,1,6-7H2,2-3H3,(H,14,15)
InChIKeyHZMZZOYZJPAXIY-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.42
Rot. Bonds4

About N-(2,2-dimethylpenta-3,4-dienyl)-3,3,3-trifluoropropanamide

N-(2,2-dimethylpenta-3,4-dienyl)-3,3,3-trifluoropropanamide (PubChem CID 123845207) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is N-(2,2-dimethylpenta-3,4-dienyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpenta-3,4-dienyl)-3,3,3-trifluoropropanamide
PubChem CID123845207
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC NameN-(2,2-dimethylpenta-3,4-dienyl)-3,3,3-trifluoropropanamide
SMILESC=C=CC(C)(C)CNC(=O)CC(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-4-5-9(2,3)7-14-8(15)6-10(11,12)13/h5H,1,6-7H2,2-3H3,(H,14,15)
InChIKeyHZMZZOYZJPAXIY-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpenta-3,4-dienyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(2,2-dimethylpenta-3,4-dienyl)-3,3,3-trifluoropropanamide (CID 123845207) is N-(2,2-dimethylpenta-3,4-dienyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(2,2-dimethylpenta-3,4-dienyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(2,2-dimethylpenta-3,4-dienyl)-3,3,3-trifluoropropanamide is C=C=CC(C)(C)CNC(=O)CC(F)(F)F.
What is the InChIKey of N-(2,2-dimethylpenta-3,4-dienyl)-3,3,3-trifluoropropanamide?
The InChIKey is HZMZZOYZJPAXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-4-5-9(2,3)7-14-8(15)6-10(11,12)13/h5H,1,6-7H2,2-3H3,(H,14,15).
What are the key properties of N-(2,2-dimethylpenta-3,4-dienyl)-3,3,3-trifluoropropanamide?
N-(2,2-dimethylpenta-3,4-dienyl)-3,3,3-trifluoropropanamide has a molecular weight of 221.22 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpenta-3,4-dienyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 123845207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).