3-[(2,2,2-trifluoroacetyl)amino]propyl carbamate

C6H9F3N2O3 — CID 151367501

IUPAC3-[(2,2,2-trifluoroacetyl)amino]propyl carbamate
SMILESNC(=O)OCCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3N2O3/c7-6(8,9)4(12)11-2-1-3-14-5(10)13/h1-3H2,(H2,10,13)(H,11,12)
InChIKeyOPSSHFLPYOHKOI-UHFFFAOYSA-N
MW214.14 g/mol
LogP0.15
Rot. Bonds4

About 3-[(2,2,2-trifluoroacetyl)amino]propyl carbamate

3-[(2,2,2-trifluoroacetyl)amino]propyl carbamate (PubChem CID 151367501) has the molecular formula C6H9F3N2O3 and a molecular weight of 214.14 g/mol. Its IUPAC name is 3-[(2,2,2-trifluoroacetyl)amino]propyl carbamate.

Molecular Properties

Compound Name3-[(2,2,2-trifluoroacetyl)amino]propyl carbamate
PubChem CID151367501
Molecular FormulaC6H9F3N2O3
Molecular Weight214.14 g/mol
Exact Mass214.06
IUPAC Name3-[(2,2,2-trifluoroacetyl)amino]propyl carbamate
SMILESNC(=O)OCCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3N2O3/c7-6(8,9)4(12)11-2-1-3-14-5(10)13/h1-3H2,(H2,10,13)(H,11,12)
InChIKeyOPSSHFLPYOHKOI-UHFFFAOYSA-N
XLogP0.15
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 50.15
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 3-[(2,2,2-trifluoroacetyl)amino]propyl carbamate?
The IUPAC name of 3-[(2,2,2-trifluoroacetyl)amino]propyl carbamate (CID 151367501) is 3-[(2,2,2-trifluoroacetyl)amino]propyl carbamate.
What is the SMILES notation for 3-[(2,2,2-trifluoroacetyl)amino]propyl carbamate?
The canonical SMILES for 3-[(2,2,2-trifluoroacetyl)amino]propyl carbamate is NC(=O)OCCCNC(=O)C(F)(F)F.
What is the InChIKey of 3-[(2,2,2-trifluoroacetyl)amino]propyl carbamate?
The InChIKey is OPSSHFLPYOHKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O3/c7-6(8,9)4(12)11-2-1-3-14-5(10)13/h1-3H2,(H2,10,13)(H,11,12).
What are the key properties of 3-[(2,2,2-trifluoroacetyl)amino]propyl carbamate?
3-[(2,2,2-trifluoroacetyl)amino]propyl carbamate has a molecular weight of 214.14 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,2-trifluoroacetyl)amino]propyl carbamate is sourced from PubChem (CID 151367501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).