1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide

C18H15F7N2O2 — CID 87710756

IUPAC1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide
SMILESCc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1C1(C(N)=O)C=CC=CC1C(N)=O
InChIInChI=1S/C18H15F7N2O2/c1-9-8-10(16(19,17(20,21)22)18(23,24)25)5-6-11(9)15(14(27)29)7-3-2-4-12(15)13(26)28/h2-8,12H,1H3,(H2,26,28)(H2,27,29)
InChIKeyQLQYCUJUGDTGGU-UHFFFAOYSA-N
MW424.32 g/mol
LogP3.24
Rot. Bonds4

About 1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide

1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide (PubChem CID 87710756) has the molecular formula C18H15F7N2O2 and a molecular weight of 424.32 g/mol. Its IUPAC name is 1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide
PubChem CID87710756
Molecular FormulaC18H15F7N2O2
Molecular Weight424.32 g/mol
Exact Mass424.10
IUPAC Name1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide
SMILESCc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1C1(C(N)=O)C=CC=CC1C(N)=O
InChIInChI=1S/C18H15F7N2O2/c1-9-8-10(16(19,17(20,21)22)18(23,24)25)5-6-11(9)15(14(27)29)7-3-2-4-12(15)13(26)28/h2-8,12H,1H3,(H2,26,28)(H2,27,29)
InChIKeyQLQYCUJUGDTGGU-UHFFFAOYSA-N
XLogP3.24
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide?
The IUPAC name of 1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide (CID 87710756) is 1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide.
What is the SMILES notation for 1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide?
The canonical SMILES for 1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide is Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1C1(C(N)=O)C=CC=CC1C(N)=O.
What is the InChIKey of 1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide?
The InChIKey is QLQYCUJUGDTGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F7N2O2/c1-9-8-10(16(19,17(20,21)22)18(23,24)25)5-6-11(9)15(14(27)29)7-3-2-4-12(15)13(26)28/h2-8,12H,1H3,(H2,26,28)(H2,27,29).
What are the key properties of 1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide?
1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide has a molecular weight of 424.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]cyclohexa-3,5-diene-1,2-dicarboxamide is sourced from PubChem (CID 87710756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).