2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate

C13H17F3N2O3 — CID 65173309

IUPAC2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate
SMILESCN(C)CCOc1cccc(NC(=O)OCC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3/c1-18(2)6-7-20-11-5-3-4-10(8-11)17-12(19)21-9-13(14,15)16/h3-5,8H,6-7,9H2,1-2H3,(H,17,19)
InChIKeyKPMPSPCXOKUXMN-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.74
Rot. Bonds6

About 2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate

2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate (PubChem CID 65173309) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate
PubChem CID65173309
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate
SMILESCN(C)CCOc1cccc(NC(=O)OCC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O3/c1-18(2)6-7-20-11-5-3-4-10(8-11)17-12(19)21-9-13(14,15)16/h3-5,8H,6-7,9H2,1-2H3,(H,17,19)
InChIKeyKPMPSPCXOKUXMN-UHFFFAOYSA-N
XLogP2.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate
CID 65173322
2,2,2-trifluoroethyl N-[3-(3-cyanopropoxy)phenyl]carbamate
CID 65173271
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethylpropanamide
CID 60776296
(2S)-2-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]-3,3-dimethylbutanamide
CID 61180242
N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 60776294
1-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxamide
CID 65464434
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 39871511
3-amino-4-[3-[2-(dimethylamino)ethoxy]anilino]-4-oxobutanoic acid
CID 64897056
2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate
CID 44722441
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide
CID 81070538

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate (CID 65173309) is 2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate is CN(C)CCOc1cccc(NC(=O)OCC(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate?
The InChIKey is KPMPSPCXOKUXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-18(2)6-7-20-11-5-3-4-10(8-11)17-12(19)21-9-13(14,15)16/h3-5,8H,6-7,9H2,1-2H3,(H,17,19).
What are the key properties of 2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate?
2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate has a molecular weight of 306.28 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[3-[2-(dimethylamino)ethoxy]phenyl]carbamate is sourced from PubChem (CID 65173309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).