3-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid;propane

C17H28F3NO3 — CID 142826800

IUPAC3-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid;propane
SMILESCCC.O=C(O)C1CCC(N(C(=O)C(F)(F)F)C2CCCCC2)C1
InChIInChI=1S/C14H20F3NO3.C3H8/c15-14(16,17)13(21)18(10-4-2-1-3-5-10)11-7-6-9(8-11)12(19)20;1-3-2/h9-11H,1-8H2,(H,19,20);3H2,1-2H3
InChIKeyXCIHCRHXTLOZTK-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.38
Rot. Bonds3

About 3-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid;propane

3-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid;propane (PubChem CID 142826800) has the molecular formula C17H28F3NO3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid;propane.

Molecular Properties

Compound Name3-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid;propane
PubChem CID142826800
Molecular FormulaC17H28F3NO3
Molecular Weight351.41 g/mol
Exact Mass351.20
IUPAC Name3-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid;propane
SMILESCCC.O=C(O)C1CCC(N(C(=O)C(F)(F)F)C2CCCCC2)C1
InChIInChI=1S/C14H20F3NO3.C3H8/c15-14(16,17)13(21)18(10-4-2-1-3-5-10)11-7-6-9(8-11)12(19)20;1-3-2/h9-11H,1-8H2,(H,19,20);3H2,1-2H3
InChIKeyXCIHCRHXTLOZTK-UHFFFAOYSA-N
XLogP4.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid;propane?
The IUPAC name of 3-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid;propane (CID 142826800) is 3-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid;propane.
What is the SMILES notation for 3-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid;propane?
The canonical SMILES for 3-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid;propane is CCC.O=C(O)C1CCC(N(C(=O)C(F)(F)F)C2CCCCC2)C1.
What is the InChIKey of 3-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid;propane?
The InChIKey is XCIHCRHXTLOZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3.C3H8/c15-14(16,17)13(21)18(10-4-2-1-3-5-10)11-7-6-9(8-11)12(19)20;1-3-2/h9-11H,1-8H2,(H,19,20);3H2,1-2H3.
What are the key properties of 3-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid;propane?
3-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid;propane has a molecular weight of 351.41 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid;propane is sourced from PubChem (CID 142826800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).