[3-(trifluoromethyl)phenyl] N,N-diethylcarbamate

C12H14F3NO2 — CID 102099488

IUPAC[3-(trifluoromethyl)phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-3-16(4-2)11(17)18-10-7-5-6-9(8-10)12(13,14)15/h5-8H,3-4H2,1-2H3
InChIKeyORAMLYNLTTZTDZ-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.55
Rot. Bonds3

About [3-(trifluoromethyl)phenyl] N,N-diethylcarbamate

[3-(trifluoromethyl)phenyl] N,N-diethylcarbamate (PubChem CID 102099488) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl] N,N-diethylcarbamate
PubChem CID102099488
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name[3-(trifluoromethyl)phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-3-16(4-2)11(17)18-10-7-5-6-9(8-10)12(13,14)15/h5-8H,3-4H2,1-2H3
InChIKeyORAMLYNLTTZTDZ-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [3-(trifluoromethyl)phenyl] N,N-diethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(trifluoromethyl)phenyl] carbamate
CID 56614861
[3-(trifluoromethyl)phenyl] 2-methylprop-2-enoate
CID 72524575
1-pent-2-en-3-yloxy-3-(trifluoromethyl)benzene
CID 123153369
(3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate
CID 13483047
4-(dimethylamino)-3-[3-(trifluoromethyl)phenoxy]but-3-en-2-one
CID 170621674
N,N-diethyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571798
1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene
CID 67930269
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
2-[3-(trifluoromethyl)phenoxy]pentan-3-one
CID 64868237
[3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride
CID 117069146
N-ethyl-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]carbamate
CID 86737876
N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62456852

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl] N,N-diethylcarbamate?
The IUPAC name of [3-(trifluoromethyl)phenyl] N,N-diethylcarbamate (CID 102099488) is [3-(trifluoromethyl)phenyl] N,N-diethylcarbamate.
What is the SMILES notation for [3-(trifluoromethyl)phenyl] N,N-diethylcarbamate?
The canonical SMILES for [3-(trifluoromethyl)phenyl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl] N,N-diethylcarbamate?
The InChIKey is ORAMLYNLTTZTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-3-16(4-2)11(17)18-10-7-5-6-9(8-10)12(13,14)15/h5-8H,3-4H2,1-2H3.
What are the key properties of [3-(trifluoromethyl)phenyl] N,N-diethylcarbamate?
[3-(trifluoromethyl)phenyl] N,N-diethylcarbamate has a molecular weight of 261.24 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl] N,N-diethylcarbamate is sourced from PubChem (CID 102099488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).