tert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate

C14H27F3N2O2 — CID 107248523

IUPACtert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate
SMILESCC(CCCC(F)(F)F)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H27F3N2O2/c1-10(7-6-8-14(15,16)17)19-11(2)9-18-12(20)21-13(3,4)5/h10-11,19H,6-9H2,1-5H3,(H,18,20)
InChIKeyOIKZOOMDAFIFPJ-UHFFFAOYSA-N
MW312.38 g/mol
LogP3.61
Rot. Bonds7

About tert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate

tert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate (PubChem CID 107248523) has the molecular formula C14H27F3N2O2 and a molecular weight of 312.38 g/mol. Its IUPAC name is tert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate
PubChem CID107248523
Molecular FormulaC14H27F3N2O2
Molecular Weight312.38 g/mol
Exact Mass312.20
IUPAC Nametert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate
SMILESCC(CCCC(F)(F)F)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H27F3N2O2/c1-10(7-6-8-14(15,16)17)19-11(2)9-18-12(20)21-13(3,4)5/h10-11,19H,6-9H2,1-5H3,(H,18,20)
InChIKeyOIKZOOMDAFIFPJ-UHFFFAOYSA-N
XLogP3.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
CID 103389896
tert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate
CID 103390979
tert-butyl N-[4-(6,6,6-trifluorohexan-2-ylamino)butan-2-yl]carbamate
CID 104925089
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate
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tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate
CID 103390957
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate
CID 106022993
tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate
CID 167219816
tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate
CID 103391068
tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
CID 103389494

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate (CID 107248523) is tert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate is CC(CCCC(F)(F)F)NC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate?
The InChIKey is OIKZOOMDAFIFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O2/c1-10(7-6-8-14(15,16)17)19-11(2)9-18-12(20)21-13(3,4)5/h10-11,19H,6-9H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate?
tert-butyl N-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate has a molecular weight of 312.38 g/mol, XLogP of 3.61, 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-(6,6,6-trifluorohexan-2-ylamino)propyl]carbamate is sourced from PubChem (CID 107248523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).