4-[5-[3-(fluoromethyl)phenyl]tetrazol-1-yl]phenol

C14H11FN4O — CID 122501634

IUPAC4-[5-[3-(fluoromethyl)phenyl]tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2-c2cccc(CF)c2)cc1
InChIInChI=1S/C14H11FN4O/c15-9-10-2-1-3-11(8-10)14-16-17-18-19(14)12-4-6-13(20)7-5-12/h1-8,20H,9H2
InChIKeyYSAFUDLXUKCBMU-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.50
Rot. Bonds3

About 4-[5-[3-(fluoromethyl)phenyl]tetrazol-1-yl]phenol

4-[5-[3-(fluoromethyl)phenyl]tetrazol-1-yl]phenol (PubChem CID 122501634) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 4-[5-[3-(fluoromethyl)phenyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[3-(fluoromethyl)phenyl]tetrazol-1-yl]phenol
PubChem CID122501634
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name4-[5-[3-(fluoromethyl)phenyl]tetrazol-1-yl]phenol
SMILESOc1ccc(-n2nnnc2-c2cccc(CF)c2)cc1
InChIInChI=1S/C14H11FN4O/c15-9-10-2-1-3-11(8-10)14-16-17-18-19(14)12-4-6-13(20)7-5-12/h1-8,20H,9H2
InChIKeyYSAFUDLXUKCBMU-UHFFFAOYSA-N
XLogP2.50
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol
CID 122501235
4-[3-(fluoromethyl)phenyl]phenol
CID 174968947
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CID 94971698
4-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 21197249
3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61352817
[4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine
CID 82228170
1-(4-chlorophenyl)-5-(3,4-dichlorophenyl)tetrazole
CID 2799603
1-(3-chlorophenyl)-5-phenyltetrazole
CID 854387
[4-[1-(3-chlorophenyl)tetrazol-5-yl]phenyl]methanamine
CID 82228168
4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol
CID 54937608
4-(5-phenyltetrazol-1-yl)benzenesulfonamide
CID 57395676
4-(5-naphthalen-2-yltetrazol-1-yl)pyridine
CID 54581363

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(fluoromethyl)phenyl]tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[3-(fluoromethyl)phenyl]tetrazol-1-yl]phenol (CID 122501634) is 4-[5-[3-(fluoromethyl)phenyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[3-(fluoromethyl)phenyl]tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[3-(fluoromethyl)phenyl]tetrazol-1-yl]phenol is Oc1ccc(-n2nnnc2-c2cccc(CF)c2)cc1.
What is the InChIKey of 4-[5-[3-(fluoromethyl)phenyl]tetrazol-1-yl]phenol?
The InChIKey is YSAFUDLXUKCBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-9-10-2-1-3-11(8-10)14-16-17-18-19(14)12-4-6-13(20)7-5-12/h1-8,20H,9H2.
What are the key properties of 4-[5-[3-(fluoromethyl)phenyl]tetrazol-1-yl]phenol?
4-[5-[3-(fluoromethyl)phenyl]tetrazol-1-yl]phenol has a molecular weight of 270.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(fluoromethyl)phenyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 122501634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).