5-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid

C13H18F3NO4 — CID 102688009

IUPAC5-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCC(C(F)(F)F)CC2)O1
InChIInChI=1S/C13H18F3NO4/c14-13(15,16)7-1-3-8(4-2-7)17-11(18)9-5-6-10(21-9)12(19)20/h7-10H,1-6H2,(H,17,18)(H,19,20)
InChIKeyHYDLVBCHHSRIEK-UHFFFAOYSA-N
MW309.28 g/mol
LogP1.86
Rot. Bonds3

About 5-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid

5-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688009) has the molecular formula C13H18F3NO4 and a molecular weight of 309.28 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102688009
Molecular FormulaC13H18F3NO4
Molecular Weight309.28 g/mol
Exact Mass309.12
IUPAC Name5-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NC2CCC(C(F)(F)F)CC2)O1
InChIInChI=1S/C13H18F3NO4/c14-13(15,16)7-1-3-8(4-2-7)17-11(18)9-5-6-10(21-9)12(19)20/h7-10H,1-6H2,(H,17,18)(H,19,20)
InChIKeyHYDLVBCHHSRIEK-UHFFFAOYSA-N
XLogP1.86
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid (CID 102688009) is 5-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)NC2CCC(C(F)(F)F)CC2)O1.
What is the InChIKey of 5-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is HYDLVBCHHSRIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO4/c14-13(15,16)7-1-3-8(4-2-7)17-11(18)9-5-6-10(21-9)12(19)20/h7-10H,1-6H2,(H,17,18)(H,19,20).
What are the key properties of 5-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid?
5-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 309.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).