N-[(6S)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide

C10H12F3NO — CID 174005730

IUPACN-[(6S)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
SMILESCC(=O)NC1=CC=CC(C(F)(F)F)[C@@H]1C
InChIInChI=1S/C10H12F3NO/c1-6-8(10(11,12)13)4-3-5-9(6)14-7(2)15/h3-6,8H,1-2H3,(H,14,15)/t6-,8?/m0/s1
InChIKeyLRQOOLNUJOLVBE-UUEFVBAFSA-N
MW219.21 g/mol
LogP2.39
Rot. Bonds1

About N-[(6S)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide

N-[(6S)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide (PubChem CID 174005730) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is N-[(6S)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[(6S)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
PubChem CID174005730
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN-[(6S)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
SMILESCC(=O)NC1=CC=CC(C(F)(F)F)[C@@H]1C
InChIInChI=1S/C10H12F3NO/c1-6-8(10(11,12)13)4-3-5-9(6)14-7(2)15/h3-6,8H,1-2H3,(H,14,15)/t6-,8?/m0/s1
InChIKeyLRQOOLNUJOLVBE-UUEFVBAFSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(6S)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide?
The IUPAC name of N-[(6S)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide (CID 174005730) is N-[(6S)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide.
What is the SMILES notation for N-[(6S)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide?
The canonical SMILES for N-[(6S)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide is CC(=O)NC1=CC=CC(C(F)(F)F)[C@@H]1C.
What is the InChIKey of N-[(6S)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide?
The InChIKey is LRQOOLNUJOLVBE-UUEFVBAFSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6-8(10(11,12)13)4-3-5-9(6)14-7(2)15/h3-6,8H,1-2H3,(H,14,15)/t6-,8?/m0/s1.
What are the key properties of N-[(6S)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide?
N-[(6S)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide has a molecular weight of 219.21 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide is sourced from PubChem (CID 174005730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).