4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylic acid

C10H14F3NO3 — CID 14788219

IUPAC4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)9(17)14-5-6-1-3-7(4-2-6)8(15)16/h6-7H,1-5H2,(H,14,17)(H,15,16)
InChIKeyBVNRKPGWSLRVJK-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.56
Rot. Bonds3

About 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 14788219) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID14788219
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)9(17)14-5-6-1-3-7(4-2-6)8(15)16/h6-7H,1-5H2,(H,14,17)(H,15,16)
InChIKeyBVNRKPGWSLRVJK-UHFFFAOYSA-N
XLogP1.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 14788219) is 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is BVNRKPGWSLRVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)9(17)14-5-6-1-3-7(4-2-6)8(15)16/h6-7H,1-5H2,(H,14,17)(H,15,16).
What are the key properties of 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 253.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 14788219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).