(2,2,2-trifluoro-1-phenylethyl) N-methylcarbamate

C10H10F3NO2 — CID 57488102

IUPAC(2,2,2-trifluoro-1-phenylethyl) N-methylcarbamate
SMILESCNC(=O)OC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-14-9(15)16-8(10(11,12)13)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,14,15)
InChIKeyWWDVYSLJCWDELX-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.65
Rot. Bonds2

About (2,2,2-trifluoro-1-phenylethyl) N-methylcarbamate

(2,2,2-trifluoro-1-phenylethyl) N-methylcarbamate (PubChem CID 57488102) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is (2,2,2-trifluoro-1-phenylethyl) N-methylcarbamate.

Molecular Properties

Compound Name(2,2,2-trifluoro-1-phenylethyl) N-methylcarbamate
PubChem CID57488102
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name(2,2,2-trifluoro-1-phenylethyl) N-methylcarbamate
SMILESCNC(=O)OC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-14-9(15)16-8(10(11,12)13)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,14,15)
InChIKeyWWDVYSLJCWDELX-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Carfimate
CID 19111
Benzyl (2-oxopropyl)carbamate
CID 22747857
Benzyl Cyanomethylcarbamate
CID 244143
Benzyl carbamate
CID 12136
benzyl N-methylcarbamate
CID 562265
benzyl N-(prop-2-en-1-yl)carbamate
CID 562279
Benzyl prop-2-yn-1-ylcarbamate
CID 11137906
benzyl N-(2-methylpropyl)carbamate
CID 14568365
benzyl N-[(1E)-buta-1,3-dienyl]carbamate
CID 5384222
Benzyl dimethylcarbamate
CID 12963450
Carbamic acid, (alpha-ethylbenzyl) ester
CID 52366
1-Phenylethyl hydrogen (2-(diethylamino)ethyl)carbonimidate--hydrogen chloride (1/1)
CID 58441

Frequently Asked Questions

What is the IUPAC name of (2,2,2-trifluoro-1-phenylethyl) N-methylcarbamate?
The IUPAC name of (2,2,2-trifluoro-1-phenylethyl) N-methylcarbamate (CID 57488102) is (2,2,2-trifluoro-1-phenylethyl) N-methylcarbamate.
What is the SMILES notation for (2,2,2-trifluoro-1-phenylethyl) N-methylcarbamate?
The canonical SMILES for (2,2,2-trifluoro-1-phenylethyl) N-methylcarbamate is CNC(=O)OC(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2,2,2-trifluoro-1-phenylethyl) N-methylcarbamate?
The InChIKey is WWDVYSLJCWDELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-14-9(15)16-8(10(11,12)13)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,14,15).
What are the key properties of (2,2,2-trifluoro-1-phenylethyl) N-methylcarbamate?
(2,2,2-trifluoro-1-phenylethyl) N-methylcarbamate has a molecular weight of 233.19 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,2-trifluoro-1-phenylethyl) N-methylcarbamate is sourced from PubChem (CID 57488102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).