2-(4-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol

C11H13FN4O — CID 107057854

IUPAC2-(4-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol
SMILESCn1nnc(CC(CO)c2ccc(F)cc2)n1
InChIInChI=1S/C11H13FN4O/c1-16-14-11(13-15-16)6-9(7-17)8-2-4-10(12)5-3-8/h2-5,9,17H,6-7H2,1H3
InChIKeyPAFQTLHSVFEBRM-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.67
Rot. Bonds4

About 2-(4-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol

2-(4-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol (PubChem CID 107057854) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol
PubChem CID107057854
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name2-(4-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol
SMILESCn1nnc(CC(CO)c2ccc(F)cc2)n1
InChIInChI=1S/C11H13FN4O/c1-16-14-11(13-15-16)6-9(7-17)8-2-4-10(12)5-3-8/h2-5,9,17H,6-7H2,1H3
InChIKeyPAFQTLHSVFEBRM-UHFFFAOYSA-N
XLogP0.67
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053375
2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107057756
1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045900
1-(5-fluoro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050206
3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol
CID 107057781
2-[(4-fluorophenyl)methyl]-N-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052945
N-ethyl-1-(4-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049659
4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 69215565
3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine
CID 107053280
3-(4-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 114349840
1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047726
1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048349

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol?
The IUPAC name of 2-(4-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol (CID 107057854) is 2-(4-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol?
The canonical SMILES for 2-(4-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol is Cn1nnc(CC(CO)c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol?
The InChIKey is PAFQTLHSVFEBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-16-14-11(13-15-16)6-9(7-17)8-2-4-10(12)5-3-8/h2-5,9,17H,6-7H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol?
2-(4-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol has a molecular weight of 236.25 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol is sourced from PubChem (CID 107057854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).