propan-2-yl N-methyl-N-(2,2,2-trifluoroethyl)carbamate

C7H12F3NO2 — CID 116654410

IUPACpropan-2-yl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCC(C)OC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-5(2)13-6(12)11(3)4-7(8,9)10/h5H,4H2,1-3H3
InChIKeyANFJHVRIRLDDGI-UHFFFAOYSA-N
MW199.17 g/mol
LogP2.03
Rot. Bonds2

About propan-2-yl N-methyl-N-(2,2,2-trifluoroethyl)carbamate

propan-2-yl N-methyl-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 116654410) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is propan-2-yl N-methyl-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID116654410
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Namepropan-2-yl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCC(C)OC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-5(2)13-6(12)11(3)4-7(8,9)10/h5H,4H2,1-3H3
InChIKeyANFJHVRIRLDDGI-UHFFFAOYSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of propan-2-yl N-methyl-N-(2,2,2-trifluoroethyl)carbamate (CID 116654410) is propan-2-yl N-methyl-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for propan-2-yl N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for propan-2-yl N-methyl-N-(2,2,2-trifluoroethyl)carbamate is CC(C)OC(=O)N(C)CC(F)(F)F.
What is the InChIKey of propan-2-yl N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is ANFJHVRIRLDDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-5(2)13-6(12)11(3)4-7(8,9)10/h5H,4H2,1-3H3.
What are the key properties of propan-2-yl N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
propan-2-yl N-methyl-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 199.17 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-methyl-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 116654410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).