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

C14H24F4N2O2 — CID 103529339

IUPACtert-butyl N-[[2-(2,2,3,3-tetrafluoropropylamino)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCC(F)(F)C(F)F
InChIInChI=1S/C14H24F4N2O2/c1-13(2,3)22-12(21)19-7-9-5-4-6-10(9)20-8-14(17,18)11(15)16/h9-11,20H,4-8H2,1-3H3,(H,19,21)
InChIKeyBPEVQXAQDZTMOB-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.17
Rot. Bonds6

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

tert-butyl N-[[2-(2,2,3,3-tetrafluoropropylamino)cyclopentyl]methyl]carbamate (PubChem CID 103529339) has the molecular formula C14H24F4N2O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is tert-butyl N-[[2-(2,2,3,3-tetrafluoropropylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(2,2,3,3-tetrafluoropropylamino)cyclopentyl]methyl]carbamate
PubChem CID103529339
Molecular FormulaC14H24F4N2O2
Molecular Weight328.35 g/mol
Exact Mass328.18
IUPAC Nametert-butyl N-[[2-(2,2,3,3-tetrafluoropropylamino)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCC(F)(F)C(F)F
InChIInChI=1S/C14H24F4N2O2/c1-13(2,3)22-12(21)19-7-9-5-4-6-10(9)20-8-14(17,18)11(15)16/h9-11,20H,4-8H2,1-3H3,(H,19,21)
InChIKeyBPEVQXAQDZTMOB-UHFFFAOYSA-N
XLogP3.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(2,2,3,3-tetrafluoropropylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(2,2,3,3-tetrafluoropropylamino)cyclopentyl]methyl]carbamate (CID 103529339) is tert-butyl N-[[2-(2,2,3,3-tetrafluoropropylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(2,2,3,3-tetrafluoropropylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(2,2,3,3-tetrafluoropropylamino)cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC1NCC(F)(F)C(F)F.
What is the InChIKey of tert-butyl N-[[2-(2,2,3,3-tetrafluoropropylamino)cyclopentyl]methyl]carbamate?
The InChIKey is BPEVQXAQDZTMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F4N2O2/c1-13(2,3)22-12(21)19-7-9-5-4-6-10(9)20-8-14(17,18)11(15)16/h9-11,20H,4-8H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[[2-(2,2,3,3-tetrafluoropropylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-(2,2,3,3-tetrafluoropropylamino)cyclopentyl]methyl]carbamate has a molecular weight of 328.35 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(2,2,3,3-tetrafluoropropylamino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103529339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).