3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol

C14H15FO2 — CID 62141595

IUPAC3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(COC2CCC2)ccc1F
InChIInChI=1S/C14H15FO2/c15-14-7-6-11(9-12(14)3-2-8-16)10-17-13-4-1-5-13/h6-7,9,13,16H,1,4-5,8,10H2
InChIKeyBLNBBWPTRNTBMD-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.24
Rot. Bonds3

About 3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol

3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol (PubChem CID 62141595) has the molecular formula C14H15FO2 and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol
PubChem CID62141595
Molecular FormulaC14H15FO2
Molecular Weight234.27 g/mol
Exact Mass234.11
IUPAC Name3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(COC2CCC2)ccc1F
InChIInChI=1S/C14H15FO2/c15-14-7-6-11(9-12(14)3-2-8-16)10-17-13-4-1-5-13/h6-7,9,13,16H,1,4-5,8,10H2
InChIKeyBLNBBWPTRNTBMD-UHFFFAOYSA-N
XLogP2.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol (CID 62141595) is 3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol is OCC#Cc1cc(COC2CCC2)ccc1F.
What is the InChIKey of 3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol?
The InChIKey is BLNBBWPTRNTBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2/c15-14-7-6-11(9-12(14)3-2-8-16)10-17-13-4-1-5-13/h6-7,9,13,16H,1,4-5,8,10H2.
What are the key properties of 3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol?
3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol has a molecular weight of 234.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclobutyloxymethyl)-2-fluorophenyl]prop-2-yn-1-ol is sourced from PubChem (CID 62141595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).