tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate

C14H25F3N2O2 — CID 115516381

IUPACtert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCCCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c1-13(2,3)21-12(20)19-11-6-5-10(9-11)18-8-4-7-14(15,16)17/h10-11,18H,4-9H2,1-3H3,(H,19,20)
InChIKeyCLHRRWPXHMZEBE-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.36
Rot. Bonds5

About tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate

tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate (PubChem CID 115516381) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate
PubChem CID115516381
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Nametert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCCCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c1-13(2,3)21-12(20)19-11-6-5-10(9-11)18-8-4-7-14(15,16)17/h10-11,18H,4-9H2,1-3H3,(H,19,20)
InChIKeyCLHRRWPXHMZEBE-UHFFFAOYSA-N
XLogP3.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.36
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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Related Compounds

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tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen
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tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate
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tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate
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tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate
CID 103719960
tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate
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tert-butyl N-[4-(3-hydroxypropylamino)cyclohexyl]carbamate
CID 79113499
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
tert-butyl N-[4-(3-aminopropylamino)cyclohexyl]carbamate
CID 79113684
tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
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tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate (CID 115516381) is tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NCCCC(F)(F)F)C1.
What is the InChIKey of tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate?
The InChIKey is CLHRRWPXHMZEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-13(2,3)21-12(20)19-11-6-5-10(9-11)18-8-4-7-14(15,16)17/h10-11,18H,4-9H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate?
tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate has a molecular weight of 310.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate is sourced from PubChem (CID 115516381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).