tert-butyl N-(5,5,5-trifluoropentyl)carbamate

C10H18F3NO2 — CID 115486659

IUPACtert-butyl N-(5,5,5-trifluoropentyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-9(2,3)16-8(15)14-7-5-4-6-10(11,12)13/h4-7H2,1-3H3,(H,14,15)
InChIKeyZXDVQMFXTFGICI-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.24
Rot. Bonds4

About tert-butyl N-(5,5,5-trifluoropentyl)carbamate

tert-butyl N-(5,5,5-trifluoropentyl)carbamate (PubChem CID 115486659) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is tert-butyl N-(5,5,5-trifluoropentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5,5,5-trifluoropentyl)carbamate
PubChem CID115486659
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Nametert-butyl N-(5,5,5-trifluoropentyl)carbamate
SMILESCC(C)(C)OC(=O)NCCCCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-9(2,3)16-8(15)14-7-5-4-6-10(11,12)13/h4-7H2,1-3H3,(H,14,15)
InChIKeyZXDVQMFXTFGICI-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(4-aminobutyl)carbamate
CID 4351
N-(tert-Butoxycarbonyl)-1,5-diaminopentane
CID 4352
N-BOC-1,6-diaminohexane
CID 2733170
tert-Butyl (6-aminohexyl)carbamate monohydrochloride
CID 3017638
Tert-butyl N-butylcarbamate
CID 4271883
tert-Butyl (4,4,5,5,6,6,7,7,7-nonafluoro-2-iodoheptyl)carbamate
CID 121003551
Heptane-1,7-diamine, N-BOC protected
CID 4328520
tert-Butyl (4-(methylamino)butyl)carbamate
CID 20709354
tert-butyl N-(5-aminopentan-2-yl)carbamate
CID 45091983
tert-Butyl (3-fluoropropyl)carbamate
CID 45092379
tert-butyl N-(5-iodopentyl)carbamate
CID 53659029
tert-butyl N-(3,3,3-trifluoropropyl)carbamate
CID 65142651

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5,5,5-trifluoropentyl)carbamate?
The IUPAC name of tert-butyl N-(5,5,5-trifluoropentyl)carbamate (CID 115486659) is tert-butyl N-(5,5,5-trifluoropentyl)carbamate.
What is the SMILES notation for tert-butyl N-(5,5,5-trifluoropentyl)carbamate?
The canonical SMILES for tert-butyl N-(5,5,5-trifluoropentyl)carbamate is CC(C)(C)OC(=O)NCCCCC(F)(F)F.
What is the InChIKey of tert-butyl N-(5,5,5-trifluoropentyl)carbamate?
The InChIKey is ZXDVQMFXTFGICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-9(2,3)16-8(15)14-7-5-4-6-10(11,12)13/h4-7H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(5,5,5-trifluoropentyl)carbamate?
tert-butyl N-(5,5,5-trifluoropentyl)carbamate has a molecular weight of 241.25 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5,5,5-trifluoropentyl)carbamate is sourced from PubChem (CID 115486659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).