1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-fluorobutan-1-ol

C11H12ClFN4O — CID 155675455

IUPAC1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-fluorobutan-1-ol
SMILESCCCC(O)(F)c1ccc(Cl)cc1-c1nn[nH]n1
InChIInChI=1S/C11H12ClFN4O/c1-2-5-11(13,18)9-4-3-7(12)6-8(9)10-14-16-17-15-10/h3-4,6,18H,2,5H2,1H3,(H,14,15,16,17)
InChIKeyNQLSJPRNYVDIMG-UHFFFAOYSA-N
MW270.69 g/mol
LogP2.43
Rot. Bonds4

About 1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-fluorobutan-1-ol

1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-fluorobutan-1-ol (PubChem CID 155675455) has the molecular formula C11H12ClFN4O and a molecular weight of 270.69 g/mol. Its IUPAC name is 1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-fluorobutan-1-ol.

Molecular Properties

Compound Name1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-fluorobutan-1-ol
PubChem CID155675455
Molecular FormulaC11H12ClFN4O
Molecular Weight270.69 g/mol
Exact Mass270.07
IUPAC Name1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-fluorobutan-1-ol
SMILESCCCC(O)(F)c1ccc(Cl)cc1-c1nn[nH]n1
InChIInChI=1S/C11H12ClFN4O/c1-2-5-11(13,18)9-4-3-7(12)6-8(9)10-14-16-17-15-10/h3-4,6,18H,2,5H2,1H3,(H,14,15,16,17)
InChIKeyNQLSJPRNYVDIMG-UHFFFAOYSA-N
XLogP2.43
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-fluorobutan-1-ol?
The IUPAC name of 1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-fluorobutan-1-ol (CID 155675455) is 1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-fluorobutan-1-ol.
What is the SMILES notation for 1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-fluorobutan-1-ol?
The canonical SMILES for 1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-fluorobutan-1-ol is CCCC(O)(F)c1ccc(Cl)cc1-c1nn[nH]n1.
What is the InChIKey of 1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-fluorobutan-1-ol?
The InChIKey is NQLSJPRNYVDIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4O/c1-2-5-11(13,18)9-4-3-7(12)6-8(9)10-14-16-17-15-10/h3-4,6,18H,2,5H2,1H3,(H,14,15,16,17).
What are the key properties of 1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-fluorobutan-1-ol?
1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-fluorobutan-1-ol has a molecular weight of 270.69 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-1-fluorobutan-1-ol is sourced from PubChem (CID 155675455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).