N-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide

C11H14F3NO — CID 126663547

IUPACN-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC(C)NC(=O)C1=CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H14F3NO/c1-7(2)15-10(16)8-3-5-9(6-4-8)11(12,13)14/h3,5,7H,4,6H2,1-2H3,(H,15,16)
InChIKeyVNKLNERHRNVALK-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.72
Rot. Bonds2

About N-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide

N-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 126663547) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is N-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID126663547
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC NameN-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC(C)NC(=O)C1=CC=C(C(F)(F)F)CC1
InChIInChI=1S/C11H14F3NO/c1-7(2)15-10(16)8-3-5-9(6-4-8)11(12,13)14/h3,5,7H,4,6H2,1-2H3,(H,15,16)
InChIKeyVNKLNERHRNVALK-UHFFFAOYSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide
CID 11095798
N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide
CID 70261540
5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide
CID 89214736
2-ethyl-N-(3,3,4,4,5,5,6,6-octafluorohexyl)but-2-enamide
CID 91047662
4-(2-Fluorobut-2-enylidene)-5-methyl-3-methylidenepyrrolidin-2-one
CID 91323524
N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide
CID 121322277
2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide
CID 123711811
2-ethyl-3-fluoro-4-(2-fluoroethylamino)-N-(4-oxocyclohex-2-en-1-yl)but-2-enamide
CID 123732580
4-methyl-N-(2,2,2-trifluoroethyl)cyclohexa-1,3-diene-1-carboxamide
CID 123824367
N-cyclohexyl-2-(1,2-difluoroprop-1-enyl)-4-fluoropenta-2,4-dienamide
CID 123996263
2-fluoro-N-propan-2-ylcyclopentene-1-carboxamide
CID 126514043
N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 135220345

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide (CID 126663547) is N-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide is CC(C)NC(=O)C1=CC=C(C(F)(F)F)CC1.
What is the InChIKey of N-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is VNKLNERHRNVALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7(2)15-10(16)8-3-5-9(6-4-8)11(12,13)14/h3,5,7H,4,6H2,1-2H3,(H,15,16).
What are the key properties of N-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide?
N-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 233.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 126663547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).