tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate

C13H26F2N2O2 — CID 107253648

IUPACtert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC(C)C(F)F
InChIInChI=1S/C13H26F2N2O2/c1-6-7-10(17-9(2)11(14)15)8-16-12(18)19-13(3,4)5/h9-11,17H,6-8H2,1-5H3,(H,16,18)
InChIKeyJSPGKQXGGGMEKZ-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.92
Rot. Bonds7

About tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate

tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate (PubChem CID 107253648) has the molecular formula C13H26F2N2O2 and a molecular weight of 280.36 g/mol. Its IUPAC name is tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate
PubChem CID107253648
Molecular FormulaC13H26F2N2O2
Molecular Weight280.36 g/mol
Exact Mass280.20
IUPAC Nametert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC(C)C(F)F
InChIInChI=1S/C13H26F2N2O2/c1-6-7-10(17-9(2)11(14)15)8-16-12(18)19-13(3,4)5/h9-11,17H,6-8H2,1-5H3,(H,16,18)
InChIKeyJSPGKQXGGGMEKZ-UHFFFAOYSA-N
XLogP2.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate
CID 107256508
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate
CID 106022993
tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate
CID 107251188
tert-butyl N-[2-(1-cyclopropylpropan-2-ylamino)pentyl]carbamate
CID 107253597
tert-butyl N-[2-(2-ethylbutylamino)pentyl]carbamate
CID 107253795
tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate
CID 107253639
tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate
CID 107253634
tert-butyl N-[4-methyl-2-(3-methylbutan-2-ylamino)pentyl]carbamate
CID 103782936
tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate
CID 107256457
tert-butyl N-[2-(azetidin-3-ylamino)pentyl]carbamate
CID 107253812
tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate
CID 107253828

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate (CID 107253648) is tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate is CCCC(CNC(=O)OC(C)(C)C)NC(C)C(F)F.
What is the InChIKey of tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate?
The InChIKey is JSPGKQXGGGMEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2O2/c1-6-7-10(17-9(2)11(14)15)8-16-12(18)19-13(3,4)5/h9-11,17H,6-8H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate?
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate has a molecular weight of 280.36 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate is sourced from PubChem (CID 107253648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).