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

C11H13FN4O — CID 107047726

IUPAC1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
SMILESCn1nnc(CC(O)Cc2ccccc2F)n1
InChIInChI=1S/C11H13FN4O/c1-16-14-11(13-15-16)7-9(17)6-8-4-2-3-5-10(8)12/h2-5,9,17H,6-7H2,1H3
InChIKeyGSNZOHCHIWBWMF-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.50
Rot. Bonds4

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

1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol (PubChem CID 107047726) has the molecular formula C11H13FN4O and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
PubChem CID107047726
Molecular FormulaC11H13FN4O
Molecular Weight236.25 g/mol
Exact Mass236.11
IUPAC Name1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
SMILESCn1nnc(CC(O)Cc2ccccc2F)n1
InChIInChI=1S/C11H13FN4O/c1-16-14-11(13-15-16)7-9(17)6-8-4-2-3-5-10(8)12/h2-5,9,17H,6-7H2,1H3
InChIKeyGSNZOHCHIWBWMF-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053035
2-(2-fluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042037
1-(3-fluoro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107048053
1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol
CID 107046002
N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049108
1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049641
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047966
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047811
2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 107045890
1-(2-chlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 54978146
1-(2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61263658

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol (CID 107047726) is 1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol is Cn1nnc(CC(O)Cc2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol?
The InChIKey is GSNZOHCHIWBWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O/c1-16-14-11(13-15-16)7-9(17)6-8-4-2-3-5-10(8)12/h2-5,9,17H,6-7H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol?
1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol has a molecular weight of 236.25 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol is sourced from PubChem (CID 107047726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).