propan-2-yl N-[1-(trifluoromethyl)cyclopropyl]carbamate

C8H12F3NO2 — CID 106211171

IUPACpropan-2-yl N-[1-(trifluoromethyl)cyclopropyl]carbamate
SMILESCC(C)OC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO2/c1-5(2)14-6(13)12-7(3-4-7)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyFYRXEXXBFHMAMY-UHFFFAOYSA-N
MW211.18 g/mol
LogP2.22
Rot. Bonds2

About propan-2-yl N-[1-(trifluoromethyl)cyclopropyl]carbamate

propan-2-yl N-[1-(trifluoromethyl)cyclopropyl]carbamate (PubChem CID 106211171) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is propan-2-yl N-[1-(trifluoromethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-(trifluoromethyl)cyclopropyl]carbamate
PubChem CID106211171
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Namepropan-2-yl N-[1-(trifluoromethyl)cyclopropyl]carbamate
SMILESCC(C)OC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO2/c1-5(2)14-6(13)12-7(3-4-7)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyFYRXEXXBFHMAMY-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-(trifluoromethyl)cyclopropyl]carbamate?
The IUPAC name of propan-2-yl N-[1-(trifluoromethyl)cyclopropyl]carbamate (CID 106211171) is propan-2-yl N-[1-(trifluoromethyl)cyclopropyl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-(trifluoromethyl)cyclopropyl]carbamate?
The canonical SMILES for propan-2-yl N-[1-(trifluoromethyl)cyclopropyl]carbamate is CC(C)OC(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of propan-2-yl N-[1-(trifluoromethyl)cyclopropyl]carbamate?
The InChIKey is FYRXEXXBFHMAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-5(2)14-6(13)12-7(3-4-7)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of propan-2-yl N-[1-(trifluoromethyl)cyclopropyl]carbamate?
propan-2-yl N-[1-(trifluoromethyl)cyclopropyl]carbamate has a molecular weight of 211.18 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-(trifluoromethyl)cyclopropyl]carbamate is sourced from PubChem (CID 106211171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).