fluoro 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate

C14H24FNO3 — CID 134223975

IUPACfluoro 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate
SMILESCC(C)C1CCC(C)(C)CC1C(=O)NCC(=O)OF
InChIInChI=1S/C14H24FNO3/c1-9(2)10-5-6-14(3,4)7-11(10)13(18)16-8-12(17)19-15/h9-11H,5-8H2,1-4H3,(H,16,18)
InChIKeyFJBXJPPJGYTZGU-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.63
Rot. Bonds4

About fluoro 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate

fluoro 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate (PubChem CID 134223975) has the molecular formula C14H24FNO3 and a molecular weight of 273.35 g/mol. Its IUPAC name is fluoro 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate.

Molecular Properties

Compound Namefluoro 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate
PubChem CID134223975
Molecular FormulaC14H24FNO3
Molecular Weight273.35 g/mol
Exact Mass273.17
IUPAC Namefluoro 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate
SMILESCC(C)C1CCC(C)(C)CC1C(=O)NCC(=O)OF
InChIInChI=1S/C14H24FNO3/c1-9(2)10-5-6-14(3,4)7-11(10)13(18)16-8-12(17)19-15/h9-11H,5-8H2,1-4H3,(H,16,18)
InChIKeyFJBXJPPJGYTZGU-UHFFFAOYSA-N
XLogP2.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate?
The IUPAC name of fluoro 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate (CID 134223975) is fluoro 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate.
What is the SMILES notation for fluoro 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate?
The canonical SMILES for fluoro 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate is CC(C)C1CCC(C)(C)CC1C(=O)NCC(=O)OF.
What is the InChIKey of fluoro 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate?
The InChIKey is FJBXJPPJGYTZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO3/c1-9(2)10-5-6-14(3,4)7-11(10)13(18)16-8-12(17)19-15/h9-11H,5-8H2,1-4H3,(H,16,18).
What are the key properties of fluoro 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate?
fluoro 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate has a molecular weight of 273.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate is sourced from PubChem (CID 134223975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).