propan-2-yl-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamic acid

C10H17F3N2O4 — CID 87583117

IUPACpropan-2-yl-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamic acid
SMILESCC(C)N(CCOCCNC(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H17F3N2O4/c1-7(2)15(9(17)18)4-6-19-5-3-14-8(16)10(11,12)13/h7H,3-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyFYDKLDMEBZPOLP-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.07
Rot. Bonds7

About propan-2-yl-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamic acid

propan-2-yl-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamic acid (PubChem CID 87583117) has the molecular formula C10H17F3N2O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is propan-2-yl-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamic acid.

Molecular Properties

Compound Namepropan-2-yl-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamic acid
PubChem CID87583117
Molecular FormulaC10H17F3N2O4
Molecular Weight286.25 g/mol
Exact Mass286.11
IUPAC Namepropan-2-yl-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamic acid
SMILESCC(C)N(CCOCCNC(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C10H17F3N2O4/c1-7(2)15(9(17)18)4-6-19-5-3-14-8(16)10(11,12)13/h7H,3-6H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyFYDKLDMEBZPOLP-UHFFFAOYSA-N
XLogP1.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamic acid?
The IUPAC name of propan-2-yl-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamic acid (CID 87583117) is propan-2-yl-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamic acid.
What is the SMILES notation for propan-2-yl-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamic acid?
The canonical SMILES for propan-2-yl-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamic acid is CC(C)N(CCOCCNC(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of propan-2-yl-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamic acid?
The InChIKey is FYDKLDMEBZPOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O4/c1-7(2)15(9(17)18)4-6-19-5-3-14-8(16)10(11,12)13/h7H,3-6H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of propan-2-yl-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamic acid?
propan-2-yl-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamic acid has a molecular weight of 286.25 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamic acid is sourced from PubChem (CID 87583117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).