tert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate

C10H17F3N2O2 — CID 115047302

IUPACtert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(N)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-8(2,3)17-7(16)15-9(4-5-9)6(14)10(11,12)13/h6H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyNZHXJIKJWGDRBA-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.93
Rot. Bonds2

About tert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate

tert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate (PubChem CID 115047302) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is tert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate
PubChem CID115047302
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Nametert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(N)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-8(2,3)17-7(16)15-9(4-5-9)6(14)10(11,12)13/h6H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyNZHXJIKJWGDRBA-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate
CID 20811777
tert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate
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tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate
CID 67385903
tert-butyl N-(1-carbamothioylcyclopropyl)carbamate
CID 58431174
tert-butyl N-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
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tert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate
CID 115052979
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
methyl (2S,3R)-4,4,4-trifluoro-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 134857565
tert-butyl N-(3-amino-4,4,4-trifluorobutan-2-yl)carbamate
CID 130681792
[2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate
CID 141155795
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid
CID 164663917
methyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate
CID 115020911

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate (CID 115047302) is tert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(C(N)C(F)(F)F)CC1.
What is the InChIKey of tert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate?
The InChIKey is NZHXJIKJWGDRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-8(2,3)17-7(16)15-9(4-5-9)6(14)10(11,12)13/h6H,4-5,14H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate?
tert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate has a molecular weight of 254.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate is sourced from PubChem (CID 115047302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).