2,2,2-trifluoroethyl N-cyclobutylcarbamate

C7H10F3NO2 — CID 63716209

IUPAC2,2,2-trifluoroethyl N-cyclobutylcarbamate
SMILESO=C(NC1CCC1)OCC(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)4-13-6(12)11-5-2-1-3-5/h5H,1-4H2,(H,11,12)
InChIKeyAJWMUZMUZFDVQR-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.83
Rot. Bonds2

About 2,2,2-trifluoroethyl N-cyclobutylcarbamate

2,2,2-trifluoroethyl N-cyclobutylcarbamate (PubChem CID 63716209) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-cyclobutylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-cyclobutylcarbamate
PubChem CID63716209
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2,2,2-trifluoroethyl N-cyclobutylcarbamate
SMILESO=C(NC1CCC1)OCC(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)4-13-6(12)11-5-2-1-3-5/h5H,1-4H2,(H,11,12)
InChIKeyAJWMUZMUZFDVQR-UHFFFAOYSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate
CID 61068490
2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate
CID 65173974
2,2,2-trifluoroethyl N-(oxan-3-yl)carbamate
CID 63598108
2,2,2-trifluoroethyl N-(1,1-dioxothian-4-yl)carbamate
CID 65173289
2,2,2-trifluoroethyl N-(1-oxothian-4-yl)carbamate
CID 104594560
2,2,2-trifluoroethyl N-cyclopent-3-en-1-ylcarbamate
CID 115695448
2,2,2-trifluoroethyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
CID 65173925
2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate
CID 103887484
2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 65168543
2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 61066497
2,2,2-trifluoroethyl N-(7-oxaspiro[3.5]nonan-3-yl)carbamate
CID 122276425
2,2,2-trifluoroethyl N-methoxycarbamate
CID 65168313

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-cyclobutylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-cyclobutylcarbamate (CID 63716209) is 2,2,2-trifluoroethyl N-cyclobutylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-cyclobutylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-cyclobutylcarbamate is O=C(NC1CCC1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-cyclobutylcarbamate?
The InChIKey is AJWMUZMUZFDVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)4-13-6(12)11-5-2-1-3-5/h5H,1-4H2,(H,11,12).
What are the key properties of 2,2,2-trifluoroethyl N-cyclobutylcarbamate?
2,2,2-trifluoroethyl N-cyclobutylcarbamate has a molecular weight of 197.16 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-cyclobutylcarbamate is sourced from PubChem (CID 63716209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).