tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate

C9H14F3NO2 — CID 126970282

IUPACtert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-8(2,3)15-7(14)13-6-4-5(6)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyGCJUZGHULRVKGS-UHFFFAOYSA-N
MW225.21 g/mol
LogP2.46
Rot. Bonds1

About tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate

tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate (PubChem CID 126970282) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate
PubChem CID126970282
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Nametert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c1-8(2,3)15-7(14)13-6-4-5(6)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyGCJUZGHULRVKGS-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 155905095
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264
tert-butyl N-[(1S,2S,4S)-2-hydroxy-4-(trifluoromethoxy)cyclopentyl]carbamate
CID 169260941
methyl N-(2-tert-butylcyclopropyl)carbamate
CID 176792814
tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate
CID 122463347
tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate
CID 107238283
tert-butyl N-[(1R,3S,5S)-3-hydroxy-5-(trifluoromethyl)cyclohexyl]carbamate
CID 129413231
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate (CID 126970282) is tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1C(F)(F)F.
What is the InChIKey of tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate?
The InChIKey is GCJUZGHULRVKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-8(2,3)15-7(14)13-6-4-5(6)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate?
tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate has a molecular weight of 225.21 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate is sourced from PubChem (CID 126970282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).