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

C11H14F3NO2 — CID 170043554

IUPACN-propan-2-yl-4-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxamide
SMILESCC(C)NC(=O)C1C=CC(OC(F)(F)F)=CC1
InChIInChI=1S/C11H14F3NO2/c1-7(2)15-10(16)8-3-5-9(6-4-8)17-11(12,13)14/h3,5-8H,4H2,1-2H3,(H,15,16)
InChIKeySKGAVJBLAAVLSW-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.51
Rot. Bonds3

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

N-propan-2-yl-4-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 170043554) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is N-propan-2-yl-4-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxamide
PubChem CID170043554
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC NameN-propan-2-yl-4-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxamide
SMILESCC(C)NC(=O)C1C=CC(OC(F)(F)F)=CC1
InChIInChI=1S/C11H14F3NO2/c1-7(2)15-10(16)8-3-5-9(6-4-8)17-11(12,13)14/h3,5-8H,4H2,1-2H3,(H,15,16)
InChIKeySKGAVJBLAAVLSW-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxamide (CID 170043554) is N-propan-2-yl-4-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxamide is CC(C)NC(=O)C1C=CC(OC(F)(F)F)=CC1.
What is the InChIKey of N-propan-2-yl-4-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is SKGAVJBLAAVLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-7(2)15-10(16)8-3-5-9(6-4-8)17-11(12,13)14/h3,5-8H,4H2,1-2H3,(H,15,16).
What are the key properties of N-propan-2-yl-4-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxamide?
N-propan-2-yl-4-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 249.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(trifluoromethoxy)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 170043554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).