tert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate

C13H21F3N2O3 — CID 71991481

IUPACtert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O3/c1-12(2,3)21-11(20)18-9-5-4-8(6-9)10(19)17-7-13(14,15)16/h8-9H,4-7H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyJWKVBQMMNWFJHK-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.36
Rot. Bonds3

About tert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate

tert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate (PubChem CID 71991481) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is tert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate
PubChem CID71991481
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Nametert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O3/c1-12(2,3)21-11(20)18-9-5-4-8(6-9)10(19)17-7-13(14,15)16/h8-9H,4-7H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyJWKVBQMMNWFJHK-UHFFFAOYSA-N
XLogP2.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate
CID 123825419
tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen
CID 158239331
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23397565
tert-butyl N-[(1S,3R)-3-(methylcarbamothioyl)cyclopentyl]carbamate
CID 59028664
tert-butyl N-[(1S)-3-carbamothioylcyclopentyl]carbamate
CID 59028671
tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate
CID 115516381
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[3-(3,3,3-trifluoropropanoylamino)cyclohexyl]carbamate
CID 86804554
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[4-(tert-butylcarbamoyl)cyclohexyl]carbamate
CID 59316038
tert-butyl (3S)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylate
CID 67294567
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate (CID 71991481) is tert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of tert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate?
The InChIKey is JWKVBQMMNWFJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-12(2,3)21-11(20)18-9-5-4-8(6-9)10(19)17-7-13(14,15)16/h8-9H,4-7H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate?
tert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate has a molecular weight of 310.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate is sourced from PubChem (CID 71991481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).