N-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]acetamide

C10H10F3NO — CID 142916079

IUPACN-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]acetamide
SMILESCC(=O)NC1=CC=C(C(F)(F)F)C=CC1
InChIInChI=1S/C10H10F3NO/c1-7(15)14-9-4-2-3-8(5-6-9)10(11,12)13/h2-3,5-6H,4H2,1H3,(H,14,15)
InChIKeyZZEVUHUNCWKVFY-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.45
Rot. Bonds1

About N-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]acetamide

N-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]acetamide (PubChem CID 142916079) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]acetamide
PubChem CID142916079
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC NameN-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]acetamide
SMILESCC(=O)NC1=CC=C(C(F)(F)F)C=CC1
InChIInChI=1S/C10H10F3NO/c1-7(15)14-9-4-2-3-8(5-6-9)10(11,12)13/h2-3,5-6H,4H2,1H3,(H,14,15)
InChIKeyZZEVUHUNCWKVFY-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]acetamide?
The IUPAC name of N-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]acetamide (CID 142916079) is N-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]acetamide.
What is the SMILES notation for N-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]acetamide?
The canonical SMILES for N-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]acetamide is CC(=O)NC1=CC=C(C(F)(F)F)C=CC1.
What is the InChIKey of N-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]acetamide?
The InChIKey is ZZEVUHUNCWKVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-7(15)14-9-4-2-3-8(5-6-9)10(11,12)13/h2-3,5-6H,4H2,1H3,(H,14,15).
What are the key properties of N-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]acetamide?
N-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]acetamide has a molecular weight of 217.19 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]acetamide is sourced from PubChem (CID 142916079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).