[4-(trifluoromethyl)phenyl] N-methylcarbamate

C9H8F3NO2 — CID 12812547

IUPAC[4-(trifluoromethyl)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO2/c1-13-8(14)15-7-4-2-6(3-5-7)9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKeyHRGFZZXCKHIMJK-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.42
Rot. Bonds1

About [4-(trifluoromethyl)phenyl] N-methylcarbamate

[4-(trifluoromethyl)phenyl] N-methylcarbamate (PubChem CID 12812547) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl] N-methylcarbamate
PubChem CID12812547
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name[4-(trifluoromethyl)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3NO2/c1-13-8(14)15-7-4-2-6(3-5-7)9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKeyHRGFZZXCKHIMJK-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Fenobucarb
CID 19588
Isoprocarb
CID 17517
Metolcarb
CID 14322
M-Cumenyl Methylcarbamate
CID 6143
m-(1-Methylbutyl)phenyl methylcarbamate
CID 16787
3,5-Xylyl Methylcarbamate
CID 17563
Xylylcarb
CID 17040
M-(1-Ethylpropyl)phenyl methylcarbamate
CID 12643
Phenyl Methylcarbamate
CID 16034
Tuberin
CID 5352006
Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate)
CID 13072
Phenol, 2-cyclopentyl-, 1-(N-methylcarbamate)
CID 18666

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl] N-methylcarbamate?
The IUPAC name of [4-(trifluoromethyl)phenyl] N-methylcarbamate (CID 12812547) is [4-(trifluoromethyl)phenyl] N-methylcarbamate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl] N-methylcarbamate?
The canonical SMILES for [4-(trifluoromethyl)phenyl] N-methylcarbamate is CNC(=O)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl] N-methylcarbamate?
The InChIKey is HRGFZZXCKHIMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-13-8(14)15-7-4-2-6(3-5-7)9(10,11)12/h2-5H,1H3,(H,13,14).
What are the key properties of [4-(trifluoromethyl)phenyl] N-methylcarbamate?
[4-(trifluoromethyl)phenyl] N-methylcarbamate has a molecular weight of 219.16 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl] N-methylcarbamate is sourced from PubChem (CID 12812547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).