tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate

C11H18F3NO2 — CID 155904648

IUPACtert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-10(2,3)17-9(16)15-6-7-4-5-8(7)11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,16)/t7-,8-/m0/s1
InChIKeyDMSSTTKXMDTIGK-YUMQZZPRSA-N
MW253.26 g/mol
LogP3.10
Rot. Bonds2

About tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate

tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate (PubChem CID 155904648) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate
PubChem CID155904648
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Nametert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-10(2,3)17-9(16)15-6-7-4-5-8(7)11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,16)/t7-,8-/m0/s1
InChIKeyDMSSTTKXMDTIGK-YUMQZZPRSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[[(3R,4S)-3-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
CID 124634256
tert-butyl N-[[(3S,4S)-4-(trifluoromethyl)piperidin-3-yl]methyl]carbamate
CID 125424383
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
tert-butyl N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]carbamate
CID 153296016
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[[(2R,3S)-3-(trifluoromethyl)piperidin-2-yl]methyl]carbamate
CID 154442495
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate
CID 114313805
tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate
CID 143403345
tert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate
CID 84815325
tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
CID 115406072

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate (CID 155904648) is tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(F)(F)F.
What is the InChIKey of tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate?
The InChIKey is DMSSTTKXMDTIGK-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-10(2,3)17-9(16)15-6-7-4-5-8(7)11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,16)/t7-,8-/m0/s1.
What are the key properties of tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate?
tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate has a molecular weight of 253.26 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate is sourced from PubChem (CID 155904648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).