2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate

C11H10F3N5O2 — CID 65173261

IUPAC2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate
SMILESCc1cc(NC(=O)OCC(F)(F)F)ccc1-n1cnnn1
InChIInChI=1S/C11H10F3N5O2/c1-7-4-8(16-10(20)21-5-11(12,13)14)2-3-9(7)19-6-15-17-18-19/h2-4,6H,5H2,1H3,(H,16,20)
InChIKeyIMAMTEHDFUNMDV-UHFFFAOYSA-N
MW301.23 g/mol
LogP2.08
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate

2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate (PubChem CID 65173261) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate
PubChem CID65173261
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC Name2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate
SMILESCc1cc(NC(=O)OCC(F)(F)F)ccc1-n1cnnn1
InChIInChI=1S/C11H10F3N5O2/c1-7-4-8(16-10(20)21-5-11(12,13)14)2-3-9(7)19-6-15-17-18-19/h2-4,6H,5H2,1H3,(H,16,20)
InChIKeyIMAMTEHDFUNMDV-UHFFFAOYSA-N
XLogP2.08
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 62847424
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 75436162
N-[3-methyl-4-(tetrazol-1-yl)phenyl]but-2-enamide
CID 112725296
(E)-4-[3-methyl-4-(tetrazol-1-yl)anilino]-4-oxobut-2-enoic acid
CID 60940580
2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide
CID 36723061
3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
CID 46569736
3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 134044042
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55616979
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate (CID 65173261) is 2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate is Cc1cc(NC(=O)OCC(F)(F)F)ccc1-n1cnnn1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate?
The InChIKey is IMAMTEHDFUNMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c1-7-4-8(16-10(20)21-5-11(12,13)14)2-3-9(7)19-6-15-17-18-19/h2-4,6H,5H2,1H3,(H,16,20).
What are the key properties of 2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate?
2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate has a molecular weight of 301.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate is sourced from PubChem (CID 65173261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).