tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate

C10H16F3NO2 — CID 63789055

IUPACtert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H16F3NO2/c1-9(2,3)16-8(15)14(7-4-5-7)6-10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyASRJOPKJENMAKP-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.95
Rot. Bonds2

About tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate

tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 63789055) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID63789055
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Nametert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H16F3NO2/c1-9(2,3)16-8(15)14(7-4-5-7)6-10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyASRJOPKJENMAKP-UHFFFAOYSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(azepan-3-yl)-N-(2,2,2-trifluoroethyl)carbamate
CID 141103196
methyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67008317
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate
CID 174542178
tert-butyl N-cyclopropyl-N-(3-methoxy-2-oxopropyl)carbamate
CID 165465373
tert-butyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-cyclopropylcarbamate
CID 162340809
tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
CID 63789029
tert-butyl N-cyclopropyl-N-(3-oxohex-5-ynyl)carbamate
CID 165471654
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2,2,2-trifluoroacetate
CID 174663635
tert-butyl N-cyclopropyl-N-[(2,3-dichlorocyclohexa-1,3-dien-1-yl)methyl]carbamate
CID 173128316

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate (CID 63789055) is tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate is CC(C)(C)OC(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is ASRJOPKJENMAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-9(2,3)16-8(15)14(7-4-5-7)6-10(11,12)13/h7H,4-6H2,1-3H3.
What are the key properties of tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate?
tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 239.24 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 63789055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).