1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide

C10H12F3NO — CID 67216695

IUPAC1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide
SMILESCC(C(F)(F)F)C1(C(N)=O)C=CC=CC1
InChIInChI=1S/C10H12F3NO/c1-7(10(11,12)13)9(8(14)15)5-3-2-4-6-9/h2-5,7H,6H2,1H3,(H2,14,15)
InChIKeyQZFCWQPCWKONQN-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.17
Rot. Bonds2

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

1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 67216695) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide
PubChem CID67216695
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide
SMILESCC(C(F)(F)F)C1(C(N)=O)C=CC=CC1
InChIInChI=1S/C10H12F3NO/c1-7(10(11,12)13)9(8(14)15)5-3-2-4-6-9/h2-5,7H,6H2,1H3,(H2,14,15)
InChIKeyQZFCWQPCWKONQN-UHFFFAOYSA-N
XLogP2.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.17
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-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide (CID 67216695) is 1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide is CC(C(F)(F)F)C1(C(N)=O)C=CC=CC1.
What is the InChIKey of 1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is QZFCWQPCWKONQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-7(10(11,12)13)9(8(14)15)5-3-2-4-6-9/h2-5,7H,6H2,1H3,(H2,14,15).
What are the key properties of 1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide?
1-(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 219.21 g/mol, XLogP of 2.17, 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-trifluoropropan-2-yl)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 67216695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).