2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide

C13H14F3NO2 — CID 65100669

IUPAC2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide
SMILESO=C(NC1CCC(O)CC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H14F3NO2/c14-7-5-10(15)12(11(16)6-7)13(19)17-8-1-3-9(18)4-2-8/h5-6,8-9,18H,1-4H2,(H,17,19)
InChIKeyUQHPYQNAZUNEKO-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.14
Rot. Bonds2

About 2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide

2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide (PubChem CID 65100669) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide
PubChem CID65100669
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide
SMILESO=C(NC1CCC(O)CC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H14F3NO2/c14-7-5-10(15)12(11(16)6-7)13(19)17-8-1-3-9(18)4-2-8/h5-6,8-9,18H,1-4H2,(H,17,19)
InChIKeyUQHPYQNAZUNEKO-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide?
The IUPAC name of 2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide (CID 65100669) is 2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide is O=C(NC1CCC(O)CC1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide?
The InChIKey is UQHPYQNAZUNEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-7-5-10(15)12(11(16)6-7)13(19)17-8-1-3-9(18)4-2-8/h5-6,8-9,18H,1-4H2,(H,17,19).
What are the key properties of 2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide?
2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide has a molecular weight of 273.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-(4-hydroxycyclohexyl)benzamide is sourced from PubChem (CID 65100669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).