methyl [4-(trifluoromethyl)phenyl]methyl carbonate

C10H9F3O3 — CID 11481704

IUPACmethyl [4-(trifluoromethyl)phenyl]methyl carbonate
SMILESCOC(=O)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O3/c1-15-9(14)16-6-7-2-4-8(5-3-7)10(11,12)13/h2-5H,6H2,1H3
InChIKeyUFWWEZPRHPRLGZ-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.99
Rot. Bonds2

About methyl [4-(trifluoromethyl)phenyl]methyl carbonate

methyl [4-(trifluoromethyl)phenyl]methyl carbonate (PubChem CID 11481704) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is methyl [4-(trifluoromethyl)phenyl]methyl carbonate.

Molecular Properties

Compound Namemethyl [4-(trifluoromethyl)phenyl]methyl carbonate
PubChem CID11481704
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Namemethyl [4-(trifluoromethyl)phenyl]methyl carbonate
SMILESCOC(=O)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O3/c1-15-9(14)16-6-7-2-4-8(5-3-7)10(11,12)13/h2-5H,6H2,1H3
InChIKeyUFWWEZPRHPRLGZ-UHFFFAOYSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl acetate
CID 8785
Benzyl formate
CID 7708
Benzaldehyde dimethyl acetal
CID 62375
Benzenemethanol, 4-methyl-, 1-acetate
CID 75187
(Diethoxymethyl)benzene
CID 69884
1,4-Bis(Methoxymethyl)Benzene
CID 81239
Benzylidene diacetate
CID 68489
1-(Ethoxymethyl)-4-methylbenzene
CID 12727419
Trimethyl orthobeznoate
CID 69720
Benzene, (triethoxymethyl)-
CID 74268
Benzene, 1-(dimethoxymethyl)-4-methyl-
CID 76932
Dibenzyl carbonate
CID 77002

Frequently Asked Questions

What is the IUPAC name of methyl [4-(trifluoromethyl)phenyl]methyl carbonate?
The IUPAC name of methyl [4-(trifluoromethyl)phenyl]methyl carbonate (CID 11481704) is methyl [4-(trifluoromethyl)phenyl]methyl carbonate.
What is the SMILES notation for methyl [4-(trifluoromethyl)phenyl]methyl carbonate?
The canonical SMILES for methyl [4-(trifluoromethyl)phenyl]methyl carbonate is COC(=O)OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl [4-(trifluoromethyl)phenyl]methyl carbonate?
The InChIKey is UFWWEZPRHPRLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-15-9(14)16-6-7-2-4-8(5-3-7)10(11,12)13/h2-5H,6H2,1H3.
What are the key properties of methyl [4-(trifluoromethyl)phenyl]methyl carbonate?
methyl [4-(trifluoromethyl)phenyl]methyl carbonate has a molecular weight of 234.17 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [4-(trifluoromethyl)phenyl]methyl carbonate is sourced from PubChem (CID 11481704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).