tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate

C13H24F2N2O2 — CID 115406072

IUPACtert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCC(F)F
InChIInChI=1S/C13H24F2N2O2/c1-13(2,3)19-12(18)17-7-9-5-4-6-10(9)16-8-11(14)15/h9-11,16H,4-8H2,1-3H3,(H,17,18)
InChIKeyQOLVCCKBPXYUKF-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.53
Rot. Bonds5

About tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate

tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate (PubChem CID 115406072) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
PubChem CID115406072
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC Nametert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCC(F)F
InChIInChI=1S/C13H24F2N2O2/c1-13(2,3)19-12(18)17-7-9-5-4-6-10(9)16-8-11(14)15/h9-11,16H,4-8H2,1-3H3,(H,17,18)
InChIKeyQOLVCCKBPXYUKF-UHFFFAOYSA-N
XLogP2.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 107251475
tert-butyl N-[[2-[(4-hydroxy-2-methylbutyl)amino]cyclopentyl]methyl]carbamate
CID 66091560
tert-butyl N-[[2-[(2-ethyl-4-hydroxybutyl)amino]cyclopentyl]methyl]carbamate
CID 103747891
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 107446348
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
tert-butyl N-[[2-(2-methylpentylamino)cyclohexyl]methyl]carbamate
CID 107251414
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[[2-(2-methylprop-2-enylamino)cyclopentyl]methyl]carbamate
CID 114615598
tert-butyl N-[[2-[2-(2-methylpropoxy)ethylamino]cyclopentyl]methyl]carbamate
CID 103947742
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate
CID 107446347

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate (CID 115406072) is tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC1NCC(F)F.
What is the InChIKey of tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate?
The InChIKey is QOLVCCKBPXYUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-13(2,3)19-12(18)17-7-9-5-4-6-10(9)16-8-11(14)15/h9-11,16H,4-8H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate has a molecular weight of 278.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 115406072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).