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

C12H15FN4O — CID 107046487

IUPAC1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol
SMILESCn1nnc(CC(C)(O)Cc2cccc(F)c2)n1
InChIInChI=1S/C12H15FN4O/c1-12(18,8-11-14-16-17(2)15-11)7-9-4-3-5-10(13)6-9/h3-6,18H,7-8H2,1-2H3
InChIKeyCIIAMEMTWKOODZ-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.89
Rot. Bonds4

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

1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol (PubChem CID 107046487) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol
PubChem CID107046487
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol
SMILESCn1nnc(CC(C)(O)Cc2cccc(F)c2)n1
InChIInChI=1S/C12H15FN4O/c1-12(18,8-11-14-16-17(2)15-11)7-9-4-3-5-10(13)6-9/h3-6,18H,7-8H2,1-2H3
InChIKeyCIIAMEMTWKOODZ-UHFFFAOYSA-N
XLogP0.89
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(chloromethyl)-3-(3-fluorophenyl)propyl]-2-methyltetrazole
CID 107058012
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833403
1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833346
1-(1,3-diethylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833280
N-ethyl-2-[(3-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052991
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833226
1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)propan-2-ol
CID 103130348
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833258
1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol
CID 114833392
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
3-hydroxy-3-methyl-4-(2-methyltetrazol-5-yl)butanal
CID 107046138
N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048347

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol?
The IUPAC name of 1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol (CID 107046487) is 1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol is Cn1nnc(CC(C)(O)Cc2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol?
The InChIKey is CIIAMEMTWKOODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-12(18,8-11-14-16-17(2)15-11)7-9-4-3-5-10(13)6-9/h3-6,18H,7-8H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol?
1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol has a molecular weight of 250.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol is sourced from PubChem (CID 107046487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).