[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate

C11H12F3NO2 — CID 175527175

IUPAC[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate
SMILESCc1c([C@@H](C)OC(N)=O)cccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-6-8(7(2)17-10(15)16)4-3-5-9(6)11(12,13)14/h3-5,7H,1-2H3,(H2,15,16)/t7-/m1/s1
InChIKeyKGBKMDIATFSJSG-SSDOTTSWSA-N
MW247.22 g/mol
LogP3.17
Rot. Bonds2

About [(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate

[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate (PubChem CID 175527175) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is [(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate.

Molecular Properties

Compound Name[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate
PubChem CID175527175
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate
SMILESCc1c([C@@H](C)OC(N)=O)cccc1C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-6-8(7(2)17-10(15)16)4-3-5-9(6)11(12,13)14/h3-5,7H,1-2H3,(H2,15,16)/t7-/m1/s1
InChIKeyKGBKMDIATFSJSG-SSDOTTSWSA-N
XLogP3.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate?
The IUPAC name of [(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate (CID 175527175) is [(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate.
What is the SMILES notation for [(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate?
The canonical SMILES for [(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate is Cc1c([C@@H](C)OC(N)=O)cccc1C(F)(F)F.
What is the InChIKey of [(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate?
The InChIKey is KGBKMDIATFSJSG-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-6-8(7(2)17-10(15)16)4-3-5-9(6)11(12,13)14/h3-5,7H,1-2H3,(H2,15,16)/t7-/m1/s1.
What are the key properties of [(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate?
[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate has a molecular weight of 247.22 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate is sourced from PubChem (CID 175527175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).