2,2,2-trifluoroethyl N-cyclopent-3-en-1-ylcarbamate

C8H10F3NO2 — CID 115695448

IUPAC2,2,2-trifluoroethyl N-cyclopent-3-en-1-ylcarbamate
SMILESO=C(NC1CC=CC1)OCC(F)(F)F
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)5-14-7(13)12-6-3-1-2-4-6/h1-2,6H,3-5H2,(H,12,13)
InChIKeyALALASOEIJMRDV-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.99
Rot. Bonds2

About 2,2,2-trifluoroethyl N-cyclopent-3-en-1-ylcarbamate

2,2,2-trifluoroethyl N-cyclopent-3-en-1-ylcarbamate (PubChem CID 115695448) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-cyclopent-3-en-1-ylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-cyclopent-3-en-1-ylcarbamate
PubChem CID115695448
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name2,2,2-trifluoroethyl N-cyclopent-3-en-1-ylcarbamate
SMILESO=C(NC1CC=CC1)OCC(F)(F)F
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)5-14-7(13)12-6-3-1-2-4-6/h1-2,6H,3-5H2,(H,12,13)
InChIKeyALALASOEIJMRDV-UHFFFAOYSA-N
XLogP1.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoroethyl N-cyclobutylcarbamate
CID 63716209
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-(3-hydroxycyclohexyl)carbamate
CID 61068490
2,2,2-trifluoroethyl N-(oxan-3-yl)carbamate
CID 63598108
2,2,2-trifluoroethyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 65168543
2,2,2-trifluoroethyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
CID 65173925
2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate
CID 65173974
2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate
CID 103887484
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
2,2,2-trifluoroethyl N-methoxycarbamate
CID 65168313
2,2,2-trifluoroethyl N-[[5-[(2,2,2-trifluoroethoxycarbonylamino)methyl]cyclohex-2-en-1-yl]methyl]carbamate
CID 89388462

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-cyclopent-3-en-1-ylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-cyclopent-3-en-1-ylcarbamate (CID 115695448) is 2,2,2-trifluoroethyl N-cyclopent-3-en-1-ylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-cyclopent-3-en-1-ylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-cyclopent-3-en-1-ylcarbamate is O=C(NC1CC=CC1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-cyclopent-3-en-1-ylcarbamate?
The InChIKey is ALALASOEIJMRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-8(10,11)5-14-7(13)12-6-3-1-2-4-6/h1-2,6H,3-5H2,(H,12,13).
What are the key properties of 2,2,2-trifluoroethyl N-cyclopent-3-en-1-ylcarbamate?
2,2,2-trifluoroethyl N-cyclopent-3-en-1-ylcarbamate has a molecular weight of 209.17 g/mol, XLogP of 1.99, 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-cyclopent-3-en-1-ylcarbamate is sourced from PubChem (CID 115695448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).