5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole

C11H13FN4O — CID 95452442

IUPAC5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole
SMILESCOc1ccc(F)cc1CCCc1nn[nH]n1
InChIInChI=1S/C11H13FN4O/c1-17-10-6-5-9(12)7-8(10)3-2-4-11-13-15-16-14-11/h5-7H,2-4H2,1H3,(H,13,14,15,16)
InChIKeyMQSIICYOXJKUBW-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.52
Rot. Bonds5

About 5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole

5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole (PubChem CID 95452442) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole
PubChem CID95452442
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole
SMILESCOc1ccc(F)cc1CCCc1nn[nH]n1
InChIInChI=1S/C11H13FN4O/c1-17-10-6-5-9(12)7-8(10)3-2-4-11-13-15-16-14-11/h5-7H,2-4H2,1H3,(H,13,14,15,16)
InChIKeyMQSIICYOXJKUBW-UHFFFAOYSA-N
XLogP1.52
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole
CID 82126586
5-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]-2H-tetrazole
CID 95466802
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine
CID 95441631
5-(5-fluoro-2-methoxyphenyl)-N-[5-(5-fluoro-2-methoxyphenyl)pentyl]pentan-1-amine
CID 143286054
5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole
CID 684046
3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 82782140
1-(5-fluoro-2-methoxyphenyl)pentan-3-ol
CID 82782849
2-(3-chloropentyl)-4-fluoro-1-methoxybenzene
CID 82782154
5-[(2-methoxyphenoxy)methyl]-2H-tetrazole
CID 5306162
N-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115205971
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole?
The IUPAC name of 5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole (CID 95452442) is 5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole?
The canonical SMILES for 5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole is COc1ccc(F)cc1CCCc1nn[nH]n1.
What is the InChIKey of 5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole?
The InChIKey is MQSIICYOXJKUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-17-10-6-5-9(12)7-8(10)3-2-4-11-13-15-16-14-11/h5-7H,2-4H2,1H3,(H,13,14,15,16).
What are the key properties of 5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole?
5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole has a molecular weight of 236.25 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole is sourced from PubChem (CID 95452442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).