[4-(but-3-yn-2-yloxymethyl)-2,3,5,6-tetrafluorophenyl]methanol

C12H10F4O2 — CID 14423029

IUPAC[4-(but-3-yn-2-yloxymethyl)-2,3,5,6-tetrafluorophenyl]methanol
SMILESC#CC(C)OCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C12H10F4O2/c1-3-6(2)18-5-8-11(15)9(13)7(4-17)10(14)12(8)16/h1,6,17H,4-5H2,2H3
InChIKeyWSMDUGMNNWKYCJ-UHFFFAOYSA-N
MW262.20 g/mol
LogP2.27
Rot. Bonds4

About [4-(but-3-yn-2-yloxymethyl)-2,3,5,6-tetrafluorophenyl]methanol

[4-(but-3-yn-2-yloxymethyl)-2,3,5,6-tetrafluorophenyl]methanol (PubChem CID 14423029) has the molecular formula C12H10F4O2 and a molecular weight of 262.20 g/mol. Its IUPAC name is [4-(but-3-yn-2-yloxymethyl)-2,3,5,6-tetrafluorophenyl]methanol.

Molecular Properties

Compound Name[4-(but-3-yn-2-yloxymethyl)-2,3,5,6-tetrafluorophenyl]methanol
PubChem CID14423029
Molecular FormulaC12H10F4O2
Molecular Weight262.20 g/mol
Exact Mass262.06
IUPAC Name[4-(but-3-yn-2-yloxymethyl)-2,3,5,6-tetrafluorophenyl]methanol
SMILESC#CC(C)OCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C12H10F4O2/c1-3-6(2)18-5-8-11(15)9(13)7(4-17)10(14)12(8)16/h1,6,17H,4-5H2,2H3
InChIKeyWSMDUGMNNWKYCJ-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-2,3,5,6-tetrafluorobenzyl alcohol
CID 2734209
4-Methoxymethyl-2,3,5,6-tetrafluorobenzyl alcohol
CID 11172116
2,3,5,6-Tetrafluoro-1,4-benzenedimethanol
CID 4098835
1,2,4,5-Tetrafluoro-3-(methoxymethyl)-6-methylbenzene
CID 23044322
1,2,4,5-Tetrafluoro-3,6-bis(methoxymethyl)benzene
CID 18326977
4-Propargyl-2,3,5,6-tetrafluorobenzyl alcohol
CID 11435909
1-(2,3,5,6-Tetrafluoro-4-methylphenyl)ethanol
CID 14326125
(4-Ethynyl-2,3,5,6-tetrafluorophenyl)methanol
CID 14423021
[4-(But-2-ynoxymethyl)-2,3,5,6-tetrafluorophenyl]methanol
CID 14423030
[2,3,5,6-Tetrafluoro-4-(prop-2-ynoxymethyl)phenyl]methanol
CID 14423031
2,3,5,6-Tetrafluoro-4-[(1-methylethoxy)methyl]-benzyl alcohol
CID 14718894
4-(Ethoxymethyl)-2,3,5,6-tetrafluorobenzyl alcohol
CID 14718895

Frequently Asked Questions

What is the IUPAC name of [4-(but-3-yn-2-yloxymethyl)-2,3,5,6-tetrafluorophenyl]methanol?
The IUPAC name of [4-(but-3-yn-2-yloxymethyl)-2,3,5,6-tetrafluorophenyl]methanol (CID 14423029) is [4-(but-3-yn-2-yloxymethyl)-2,3,5,6-tetrafluorophenyl]methanol.
What is the SMILES notation for [4-(but-3-yn-2-yloxymethyl)-2,3,5,6-tetrafluorophenyl]methanol?
The canonical SMILES for [4-(but-3-yn-2-yloxymethyl)-2,3,5,6-tetrafluorophenyl]methanol is C#CC(C)OCc1c(F)c(F)c(CO)c(F)c1F.
What is the InChIKey of [4-(but-3-yn-2-yloxymethyl)-2,3,5,6-tetrafluorophenyl]methanol?
The InChIKey is WSMDUGMNNWKYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4O2/c1-3-6(2)18-5-8-11(15)9(13)7(4-17)10(14)12(8)16/h1,6,17H,4-5H2,2H3.
What are the key properties of [4-(but-3-yn-2-yloxymethyl)-2,3,5,6-tetrafluorophenyl]methanol?
[4-(but-3-yn-2-yloxymethyl)-2,3,5,6-tetrafluorophenyl]methanol has a molecular weight of 262.20 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(but-3-yn-2-yloxymethyl)-2,3,5,6-tetrafluorophenyl]methanol is sourced from PubChem (CID 14423029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).