2,2,2-trifluoroethyl N-[[4-(trifluoromethyl)phenyl]methyl]carbamate

C11H9F6NO2 — CID 61382588

IUPAC2,2,2-trifluoroethyl N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)OCC(F)(F)F
InChIInChI=1S/C11H9F6NO2/c12-10(13,14)6-20-9(19)18-5-7-1-3-8(4-2-7)11(15,16)17/h1-4H,5-6H2,(H,18,19)
InChIKeyRAIUNMQPIHVPLQ-UHFFFAOYSA-N
MW301.19 g/mol
LogP3.49
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[[4-(trifluoromethyl)phenyl]methyl]carbamate

2,2,2-trifluoroethyl N-[[4-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 61382588) has the molecular formula C11H9F6NO2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[[4-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
PubChem CID61382588
Molecular FormulaC11H9F6NO2
Molecular Weight301.19 g/mol
Exact Mass301.05
IUPAC Name2,2,2-trifluoroethyl N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)OCC(F)(F)F
InChIInChI=1S/C11H9F6NO2/c12-10(13,14)6-20-9(19)18-5-7-1-3-8(4-2-7)11(15,16)17/h1-4H,5-6H2,(H,18,19)
InChIKeyRAIUNMQPIHVPLQ-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 61382490
2,2,2-trifluoroethyl N-[(3,4-dimethoxyphenyl)methyl]carbamate
CID 65173485
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
3-amino-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880466
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 79814612
1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110894292
[2-oxo-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]ethyl] 2,2,2-trifluoroacetate
CID 87548997
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
(4-pyrrol-1-ylphenyl) N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 57329537

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[[4-(trifluoromethyl)phenyl]methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[[4-(trifluoromethyl)phenyl]methyl]carbamate (CID 61382588) is 2,2,2-trifluoroethyl N-[[4-(trifluoromethyl)phenyl]methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[[4-(trifluoromethyl)phenyl]methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[[4-(trifluoromethyl)phenyl]methyl]carbamate is O=C(NCc1ccc(C(F)(F)F)cc1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[[4-(trifluoromethyl)phenyl]methyl]carbamate?
The InChIKey is RAIUNMQPIHVPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6NO2/c12-10(13,14)6-20-9(19)18-5-7-1-3-8(4-2-7)11(15,16)17/h1-4H,5-6H2,(H,18,19).
What are the key properties of 2,2,2-trifluoroethyl N-[[4-(trifluoromethyl)phenyl]methyl]carbamate?
2,2,2-trifluoroethyl N-[[4-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 301.19 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[[4-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 61382588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).