ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate

C11H12F3NO3 — CID 60705257

IUPACethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO3/c1-2-17-10(16)15-8-3-5-9(6-4-8)18-7-11(12,13)14/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyNSGRDHZDNIQQOU-UHFFFAOYSA-N
MW263.21 g/mol
LogP3.20
Rot. Bonds4

About ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate

ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate (PubChem CID 60705257) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate
PubChem CID60705257
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Nameethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO3/c1-2-17-10(16)15-8-3-5-9(6-4-8)18-7-11(12,13)14/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyNSGRDHZDNIQQOU-UHFFFAOYSA-N
XLogP3.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
ethyl N-[4-(methoxymethoxy)phenyl]carbamate
CID 19896200
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 60837802
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 134026710
4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010354
(2S)-2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]hexanamide
CID 103831151
ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate
CID 110359980
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
2-(4-acetamidophenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134010386
1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea
CID 60586866
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate (CID 60705257) is ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate is CCOC(=O)Nc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate?
The InChIKey is NSGRDHZDNIQQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-2-17-10(16)15-8-3-5-9(6-4-8)18-7-11(12,13)14/h3-6H,2,7H2,1H3,(H,15,16).
What are the key properties of ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate?
ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate has a molecular weight of 263.21 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate is sourced from PubChem (CID 60705257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).