1-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-diene-1-carboxamide

C11H14F3NO — CID 122604384

IUPAC1-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-diene-1-carboxamide
SMILESCC(C)(C(F)(F)F)C1(C(N)=O)C=CC=CC1
InChIInChI=1S/C11H14F3NO/c1-9(2,11(12,13)14)10(8(15)16)6-4-3-5-7-10/h3-6H,7H2,1-2H3,(H2,15,16)
InChIKeyFPIPNXBFBUSTCW-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.56
Rot. Bonds2

About 1-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-diene-1-carboxamide

1-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 122604384) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-diene-1-carboxamide
PubChem CID122604384
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-diene-1-carboxamide
SMILESCC(C)(C(F)(F)F)C1(C(N)=O)C=CC=CC1
InChIInChI=1S/C11H14F3NO/c1-9(2,11(12,13)14)10(8(15)16)6-4-3-5-7-10/h3-6H,7H2,1-2H3,(H2,15,16)
InChIKeyFPIPNXBFBUSTCW-UHFFFAOYSA-N
XLogP2.56
TPSA43.09 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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-diene-1-carboxamide (CID 122604384) is 1-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-diene-1-carboxamide is CC(C)(C(F)(F)F)C1(C(N)=O)C=CC=CC1.
What is the InChIKey of 1-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is FPIPNXBFBUSTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-9(2,11(12,13)14)10(8(15)16)6-4-3-5-7-10/h3-6H,7H2,1-2H3,(H2,15,16).
What are the key properties of 1-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
1-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 233.23 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 122604384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).