propan-2-yl carbamate;2,2,2-trifluoroacetic acid

C6H10F3NO4 — CID 172725530

IUPACpropan-2-yl carbamate;2,2,2-trifluoroacetic acid
SMILESCC(C)OC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO2.C2HF3O2/c1-3(2)7-4(5)6;3-2(4,5)1(6)7/h3H,1-2H3,(H2,5,6);(H,6,7)
InChIKeyHCAZYENVVWYFMN-UHFFFAOYSA-N
MW217.14 g/mol
LogP1.12
Rot. Bonds1

About propan-2-yl carbamate;2,2,2-trifluoroacetic acid

propan-2-yl carbamate;2,2,2-trifluoroacetic acid (PubChem CID 172725530) has the molecular formula C6H10F3NO4 and a molecular weight of 217.14 g/mol. Its IUPAC name is propan-2-yl carbamate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepropan-2-yl carbamate;2,2,2-trifluoroacetic acid
PubChem CID172725530
Molecular FormulaC6H10F3NO4
Molecular Weight217.14 g/mol
Exact Mass217.06
IUPAC Namepropan-2-yl carbamate;2,2,2-trifluoroacetic acid
SMILESCC(C)OC(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C4H9NO2.C2HF3O2/c1-3(2)7-4(5)6;3-2(4,5)1(6)7/h3H,1-2H3,(H2,5,6);(H,6,7)
InChIKeyHCAZYENVVWYFMN-UHFFFAOYSA-N
XLogP1.12
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl carbamate;2,2,2-trifluoroacetic acid?
The IUPAC name of propan-2-yl carbamate;2,2,2-trifluoroacetic acid (CID 172725530) is propan-2-yl carbamate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for propan-2-yl carbamate;2,2,2-trifluoroacetic acid?
The canonical SMILES for propan-2-yl carbamate;2,2,2-trifluoroacetic acid is CC(C)OC(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of propan-2-yl carbamate;2,2,2-trifluoroacetic acid?
The InChIKey is HCAZYENVVWYFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C2HF3O2/c1-3(2)7-4(5)6;3-2(4,5)1(6)7/h3H,1-2H3,(H2,5,6);(H,6,7).
What are the key properties of propan-2-yl carbamate;2,2,2-trifluoroacetic acid?
propan-2-yl carbamate;2,2,2-trifluoroacetic acid has a molecular weight of 217.14 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl carbamate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172725530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).