3-(trifluoromethyl)cyclohepta-1,3-diene-1-carboxamide

C9H10F3NO — CID 143457318

IUPAC3-(trifluoromethyl)cyclohepta-1,3-diene-1-carboxamide
SMILESNC(=O)C1=CC(C(F)(F)F)=CCCC1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)7-4-2-1-3-6(5-7)8(13)14/h4-5H,1-3H2,(H2,13,14)
InChIKeyRDCCGZCYRJTSSQ-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.07
Rot. Bonds1

About 3-(trifluoromethyl)cyclohepta-1,3-diene-1-carboxamide

3-(trifluoromethyl)cyclohepta-1,3-diene-1-carboxamide (PubChem CID 143457318) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 3-(trifluoromethyl)cyclohepta-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name3-(trifluoromethyl)cyclohepta-1,3-diene-1-carboxamide
PubChem CID143457318
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name3-(trifluoromethyl)cyclohepta-1,3-diene-1-carboxamide
SMILESNC(=O)C1=CC(C(F)(F)F)=CCCC1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)7-4-2-1-3-6(5-7)8(13)14/h4-5H,1-3H2,(H2,13,14)
InChIKeyRDCCGZCYRJTSSQ-UHFFFAOYSA-N
XLogP2.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)cyclohepta-1,3-diene-1-carboxamide?
The IUPAC name of 3-(trifluoromethyl)cyclohepta-1,3-diene-1-carboxamide (CID 143457318) is 3-(trifluoromethyl)cyclohepta-1,3-diene-1-carboxamide.
What is the SMILES notation for 3-(trifluoromethyl)cyclohepta-1,3-diene-1-carboxamide?
The canonical SMILES for 3-(trifluoromethyl)cyclohepta-1,3-diene-1-carboxamide is NC(=O)C1=CC(C(F)(F)F)=CCCC1.
What is the InChIKey of 3-(trifluoromethyl)cyclohepta-1,3-diene-1-carboxamide?
The InChIKey is RDCCGZCYRJTSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)7-4-2-1-3-6(5-7)8(13)14/h4-5H,1-3H2,(H2,13,14).
What are the key properties of 3-(trifluoromethyl)cyclohepta-1,3-diene-1-carboxamide?
3-(trifluoromethyl)cyclohepta-1,3-diene-1-carboxamide has a molecular weight of 205.18 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)cyclohepta-1,3-diene-1-carboxamide is sourced from PubChem (CID 143457318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).