ethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole

C12H17FN4O — CID 142360325

IUPACethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole
SMILESCC.CCc1ccc(F)c(OCc2nn[nH]n2)c1
InChIInChI=1S/C10H11FN4O.C2H6/c1-2-7-3-4-8(11)9(5-7)16-6-10-12-14-15-13-10;1-2/h3-5H,2,6H2,1H3,(H,12,13,14,15);1-2H3
InChIKeyWBONYLWXEUBXEL-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.51
Rot. Bonds4

About ethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole

ethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole (PubChem CID 142360325) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is ethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole.

Molecular Properties

Compound Nameethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole
PubChem CID142360325
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Nameethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole
SMILESCC.CCc1ccc(F)c(OCc2nn[nH]n2)c1
InChIInChI=1S/C10H11FN4O.C2H6/c1-2-7-3-4-8(11)9(5-7)16-6-10-12-14-15-13-10;1-2/h3-5H,2,6H2,1H3,(H,12,13,14,15);1-2H3
InChIKeyWBONYLWXEUBXEL-UHFFFAOYSA-N
XLogP2.51
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-ethyl-2-fluorophenoxy)acetic acid
CID 89304520
5-[(2-methoxyphenoxy)methyl]-2H-tetrazole
CID 5306162
5-[(2-methylphenoxy)methyl]-2H-tetrazole
CID 82075517
ethane;4-ethyl-1-fluoro-2-(trifluoromethoxy)benzene
CID 143588899
5-chloro-2-(2H-tetrazol-5-ylmethoxy)benzoic acid
CID 154268180
5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole
CID 684046
2-(1,1-difluoroethoxy)-4-ethyl-1-fluorobenzene
CID 71232413
5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole
CID 82076912
4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 81002204
2,4-diethyl-1-fluorobenzene;ethane
CID 143588111
5-[[4-chloro-2-(4-methylsulfonylphenyl)sulfanylphenoxy]methyl]-2H-tetrazole
CID 24769732
sodium;4-ethyl-2-[(4-fluorophenyl)methoxy]-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride
CID 173315511

Frequently Asked Questions

What is the IUPAC name of ethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole?
The IUPAC name of ethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole (CID 142360325) is ethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole.
What is the SMILES notation for ethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole?
The canonical SMILES for ethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole is CC.CCc1ccc(F)c(OCc2nn[nH]n2)c1.
What is the InChIKey of ethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole?
The InChIKey is WBONYLWXEUBXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O.C2H6/c1-2-7-3-4-8(11)9(5-7)16-6-10-12-14-15-13-10;1-2/h3-5H,2,6H2,1H3,(H,12,13,14,15);1-2H3.
What are the key properties of ethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole?
ethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole has a molecular weight of 252.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole is sourced from PubChem (CID 142360325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).