2-fluoro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)piperidin-2-yl]cyclohexa-1,3-diene-1-carboxamide

C14H15F7N2O — CID 118088112

IUPAC2-fluoro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)piperidin-2-yl]cyclohexa-1,3-diene-1-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CN1)C1=C(F)C=C(C(F)(F)F)CC1
InChIInChI=1S/C14H15F7N2O/c15-10-5-7(13(16,17)18)1-3-9(10)12(24)23-11-4-2-8(6-22-11)14(19,20)21/h5,8,11,22H,1-4,6H2,(H,23,24)
InChIKeyJOIXLUAHSFWHBW-UHFFFAOYSA-N
MW360.27 g/mol
LogP3.50
Rot. Bonds2

About 2-fluoro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)piperidin-2-yl]cyclohexa-1,3-diene-1-carboxamide

2-fluoro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)piperidin-2-yl]cyclohexa-1,3-diene-1-carboxamide (PubChem CID 118088112) has the molecular formula C14H15F7N2O and a molecular weight of 360.27 g/mol. Its IUPAC name is 2-fluoro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)piperidin-2-yl]cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)piperidin-2-yl]cyclohexa-1,3-diene-1-carboxamide
PubChem CID118088112
Molecular FormulaC14H15F7N2O
Molecular Weight360.27 g/mol
Exact Mass360.11
IUPAC Name2-fluoro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)piperidin-2-yl]cyclohexa-1,3-diene-1-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CN1)C1=C(F)C=C(C(F)(F)F)CC1
InChIInChI=1S/C14H15F7N2O/c15-10-5-7(13(16,17)18)1-3-9(10)12(24)23-11-4-2-8(6-22-11)14(19,20)21/h5,8,11,22H,1-4,6H2,(H,23,24)
InChIKeyJOIXLUAHSFWHBW-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4,4-difluoropiperidin-3-yl)-3-(2,2,2-trifluoroethyl)-1H-pyridin-2-one
CID 163237635
3-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 169691660

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)piperidin-2-yl]cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 2-fluoro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)piperidin-2-yl]cyclohexa-1,3-diene-1-carboxamide (CID 118088112) is 2-fluoro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)piperidin-2-yl]cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 2-fluoro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)piperidin-2-yl]cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 2-fluoro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)piperidin-2-yl]cyclohexa-1,3-diene-1-carboxamide is O=C(NC1CCC(C(F)(F)F)CN1)C1=C(F)C=C(C(F)(F)F)CC1.
What is the InChIKey of 2-fluoro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)piperidin-2-yl]cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is JOIXLUAHSFWHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F7N2O/c15-10-5-7(13(16,17)18)1-3-9(10)12(24)23-11-4-2-8(6-22-11)14(19,20)21/h5,8,11,22H,1-4,6H2,(H,23,24).
What are the key properties of 2-fluoro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)piperidin-2-yl]cyclohexa-1,3-diene-1-carboxamide?
2-fluoro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)piperidin-2-yl]cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 360.27 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(trifluoromethyl)-N-[5-(trifluoromethyl)piperidin-2-yl]cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 118088112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).