tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate

C10H15F6NO2 — CID 142165628

IUPACtert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6NO2/c1-8(2,3)19-7(18)17-5-4-6(9(11,12)13)10(14,15)16/h6H,4-5H2,1-3H3,(H,17,18)
InChIKeyDYKRIZNVGMFPGC-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.64
Rot. Bonds3

About tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate

tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate (PubChem CID 142165628) has the molecular formula C10H15F6NO2 and a molecular weight of 295.22 g/mol. Its IUPAC name is tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate
PubChem CID142165628
Molecular FormulaC10H15F6NO2
Molecular Weight295.22 g/mol
Exact Mass295.10
IUPAC Nametert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6NO2/c1-8(2,3)19-7(18)17-5-4-6(9(11,12)13)10(14,15)16/h6H,4-5H2,1-3H3,(H,17,18)
InChIKeyDYKRIZNVGMFPGC-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pentanoic acid
CID 50986501
tert-butyl N-(3-methoxybutyl)carbamate
CID 126989537
tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate
CID 10330583
tert-butyl N-[4,4,4-trifluoro-3-(3-methylbut-2-enoylamino)butyl]carbamate
CID 122152191
tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561
tert-butyl N-[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]carbamate
CID 92982229
tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate
CID 90685255
tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate
CID 174908055
tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate
CID 101456179
(2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride
CID 138683443

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate?
The IUPAC name of tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate (CID 142165628) is tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate is CC(C)(C)OC(=O)NCCC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate?
The InChIKey is DYKRIZNVGMFPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO2/c1-8(2,3)19-7(18)17-5-4-6(9(11,12)13)10(14,15)16/h6H,4-5H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate?
tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate has a molecular weight of 295.22 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate is sourced from PubChem (CID 142165628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).