1-(2-chloro-6-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanol

C10H10ClFN4O — CID 107045869

IUPAC1-(2-chloro-6-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(CC(O)c2c(F)cccc2Cl)n1
InChIInChI=1S/C10H10ClFN4O/c1-16-14-9(13-15-16)5-8(17)10-6(11)3-2-4-7(10)12/h2-4,8,17H,5H2,1H3
InChIKeyRBEPNNOZJZPWFT-UHFFFAOYSA-N
MW256.67 g/mol
LogP1.28
Rot. Bonds3

About 1-(2-chloro-6-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanol

1-(2-chloro-6-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanol (PubChem CID 107045869) has the molecular formula C10H10ClFN4O and a molecular weight of 256.67 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanol
PubChem CID107045869
Molecular FormulaC10H10ClFN4O
Molecular Weight256.67 g/mol
Exact Mass256.05
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(CC(O)c2c(F)cccc2Cl)n1
InChIInChI=1S/C10H10ClFN4O/c1-16-14-9(13-15-16)5-8(17)10-6(11)3-2-4-7(10)12/h2-4,8,17H,5H2,1H3
InChIKeyRBEPNNOZJZPWFT-UHFFFAOYSA-N
XLogP1.28
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.67
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanol (CID 107045869) is 1-(2-chloro-6-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanol is Cn1nnc(CC(O)c2c(F)cccc2Cl)n1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanol?
The InChIKey is RBEPNNOZJZPWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4O/c1-16-14-9(13-15-16)5-8(17)10-6(11)3-2-4-7(10)12/h2-4,8,17H,5H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanol?
1-(2-chloro-6-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanol has a molecular weight of 256.67 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanol is sourced from PubChem (CID 107045869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).