6-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide

C14H14F6N2O2 — CID 130277608

IUPAC6-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1C=CC=CC1(C(F)(F)F)C1(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C14H14F6N2O2/c15-13(16,17)7-22-10(24)11(5-6-11)12(14(18,19)20)4-2-1-3-8(12)9(21)23/h1-4,8H,5-7H2,(H2,21,23)(H,22,24)
InChIKeyOWCJSWOEQOHAPP-UHFFFAOYSA-N
MW356.27 g/mol
LogP2.22
Rot. Bonds4

About 6-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide

6-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 130277608) has the molecular formula C14H14F6N2O2 and a molecular weight of 356.27 g/mol. Its IUPAC name is 6-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
PubChem CID130277608
Molecular FormulaC14H14F6N2O2
Molecular Weight356.27 g/mol
Exact Mass356.10
IUPAC Name6-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1C=CC=CC1(C(F)(F)F)C1(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C14H14F6N2O2/c15-13(16,17)7-22-10(24)11(5-6-11)12(14(18,19)20)4-2-1-3-8(12)9(21)23/h1-4,8H,5-7H2,(H2,21,23)(H,22,24)
InChIKeyOWCJSWOEQOHAPP-UHFFFAOYSA-N
XLogP2.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[1-(difluoromethyl)cyclopropyl]-3,4,4a,8a-tetrahydro-2H-isoquinolin-1-one
CID 59216469
(1R)-1-[3-(3,3,3-trifluoropropanoylamino)propyl]cyclohexa-2,4-diene-1-carboxamide
CID 142747727
N-[[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-2-cyclopropylpent-4-enamide
CID 142892629

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide (CID 130277608) is 6-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide is NC(=O)C1C=CC=CC1(C(F)(F)F)C1(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 6-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is OWCJSWOEQOHAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F6N2O2/c15-13(16,17)7-22-10(24)11(5-6-11)12(14(18,19)20)4-2-1-3-8(12)9(21)23/h1-4,8H,5-7H2,(H2,21,23)(H,22,24).
What are the key properties of 6-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
6-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 356.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 130277608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).