(2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate

C14H10ClFN4O2S — CID 8677472

IUPAC(2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
SMILESO=C(Cn1nnc(-c2ccsc2)n1)OCc1c(F)cccc1Cl
InChIInChI=1S/C14H10ClFN4O2S/c15-11-2-1-3-12(16)10(11)7-22-13(21)6-20-18-14(17-19-20)9-4-5-23-8-9/h1-5,8H,6-7H2
InChIKeyDHQPWHJENAAXCM-UHFFFAOYSA-N
MW352.78 g/mol
LogP2.94
Rot. Bonds5

About (2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate

(2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate (PubChem CID 8677472) has the molecular formula C14H10ClFN4O2S and a molecular weight of 352.78 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
PubChem CID8677472
Molecular FormulaC14H10ClFN4O2S
Molecular Weight352.78 g/mol
Exact Mass352.02
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
SMILESO=C(Cn1nnc(-c2ccsc2)n1)OCc1c(F)cccc1Cl
InChIInChI=1S/C14H10ClFN4O2S/c15-11-2-1-3-12(16)10(11)7-22-13(21)6-20-18-14(17-19-20)9-4-5-23-8-9/h1-5,8H,6-7H2
InChIKeyDHQPWHJENAAXCM-UHFFFAOYSA-N
XLogP2.94
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677564
N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492
(2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 954150
9H-fluoren-9-yl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677881
N'-[2-(4-chlorophenoxy)acetyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetohydrazide
CID 9128168
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677789
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677562
2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid
CID 63912512
N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128298
(2-chloro-6-fluorophenyl)methyl 2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7906828
(2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46792377
N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate (CID 8677472) is (2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate is O=C(Cn1nnc(-c2ccsc2)n1)OCc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The InChIKey is DHQPWHJENAAXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O2S/c15-11-2-1-3-12(16)10(11)7-22-13(21)6-20-18-14(17-19-20)9-4-5-23-8-9/h1-5,8H,6-7H2.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
(2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate has a molecular weight of 352.78 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate is sourced from PubChem (CID 8677472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).