2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate

C18H18F3NO2 — CID 70467171

IUPAC2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1ccc(Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F3NO2/c1-22-17(23)24-10-9-13-5-7-14(8-6-13)11-15-3-2-4-16(12-15)18(19,20)21/h2-8,12H,9-11H2,1H3,(H,22,23)
InChIKeyJKAXTHDQVKRSSQ-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.19
Rot. Bonds5

About 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate

2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate (PubChem CID 70467171) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate
PubChem CID70467171
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1ccc(Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F3NO2/c1-22-17(23)24-10-9-13-5-7-14(8-6-13)11-15-3-2-4-16(12-15)18(19,20)21/h2-8,12H,9-11H2,1H3,(H,22,23)
InChIKeyJKAXTHDQVKRSSQ-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-propylcarbamate
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CID 70465486
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
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3-[2-[3-(trifluoromethyl)phenyl]ethoxy]propanoic acid
CID 59296246
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
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CID 70887141
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CID 87333633

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate?
The IUPAC name of 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate (CID 70467171) is 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate?
The canonical SMILES for 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate is CNC(=O)OCCc1ccc(Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate?
The InChIKey is JKAXTHDQVKRSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-22-17(23)24-10-9-13-5-7-14(8-6-13)11-15-3-2-4-16(12-15)18(19,20)21/h2-8,12H,9-11H2,1H3,(H,22,23).
What are the key properties of 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate?
2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate has a molecular weight of 337.34 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate is sourced from PubChem (CID 70467171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).