(4-methylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate

C12H12F3NO4 — CID 2303438

IUPAC(4-methylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate
SMILESCc1ccc(OC(=O)NC2(C(F)(F)F)OCCO2)cc1
InChIInChI=1S/C12H12F3NO4/c1-8-2-4-9(5-3-8)20-10(17)16-12(11(13,14)15)18-6-7-19-12/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeyLXFRUYSLEFPNIV-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.35
Rot. Bonds2

About (4-methylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate

(4-methylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate (PubChem CID 2303438) has the molecular formula C12H12F3NO4 and a molecular weight of 291.22 g/mol. Its IUPAC name is (4-methylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate.

Molecular Properties

Compound Name(4-methylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate
PubChem CID2303438
Molecular FormulaC12H12F3NO4
Molecular Weight291.22 g/mol
Exact Mass291.07
IUPAC Name(4-methylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate
SMILESCc1ccc(OC(=O)NC2(C(F)(F)F)OCCO2)cc1
InChIInChI=1S/C12H12F3NO4/c1-8-2-4-9(5-3-8)20-10(17)16-12(11(13,14)15)18-6-7-19-12/h2-5H,6-7H2,1H3,(H,16,17)
InChIKeyLXFRUYSLEFPNIV-UHFFFAOYSA-N
XLogP2.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate 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

4-Methylphenyl 2-(trifluoromethyl)-1,3-benzodioxol-2-ylcarbamate
CID 680700
ethyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamate
CID 1540518
4-(Trifluoromethyl)phenyl carbamate
CID 3753484
[4-(trifluoromethyl)phenyl] N-methylcarbamate
CID 12812547
[4-(trifluoromethyl)phenyl] N-ethylcarbamate
CID 67379936
(4-methylphenyl) N-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate
CID 89494044
Ethyl [4-(trifluoromethyl)phenyl] carbonate
CID 89961023
2-[4-(Trifluoromethyl)phenoxy]carbonyloxyethyl 2-methylpropanoate
CID 90374951
[2-Methoxy-1-[4-(trifluoromethoxy)phenyl]ethyl] carbamate
CID 122513597
[(3S)-3-carbamoyloxy-3-[4-(trifluoromethyl)phenoxy]propyl] acetate
CID 139709527
[(3R)-3-carbamoyloxy-3-[4-(trifluoromethyl)phenoxy]propyl] acetate
CID 139709529
[4-(difluoromethyl)phenyl] N-methylcarbamate
CID 144730413

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate?
The IUPAC name of (4-methylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate (CID 2303438) is (4-methylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate.
What is the SMILES notation for (4-methylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate?
The canonical SMILES for (4-methylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate is Cc1ccc(OC(=O)NC2(C(F)(F)F)OCCO2)cc1.
What is the InChIKey of (4-methylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate?
The InChIKey is LXFRUYSLEFPNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO4/c1-8-2-4-9(5-3-8)20-10(17)16-12(11(13,14)15)18-6-7-19-12/h2-5H,6-7H2,1H3,(H,16,17).
What are the key properties of (4-methylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate?
(4-methylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate has a molecular weight of 291.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]carbamate is sourced from PubChem (CID 2303438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).