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

C12H10F4O2 — CID 14423030

IUPAC[4-(but-2-ynoxymethyl)-2,3,5,6-tetrafluorophenyl]methanol
SMILESCC#CCOCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C12H10F4O2/c1-2-3-4-18-6-8-11(15)9(13)7(5-17)10(14)12(8)16/h17H,4-6H2,1H3
InChIKeyGUKLVKDTOIKXOD-UHFFFAOYSA-N
MW262.20 g/mol
LogP2.28
Rot. Bonds4

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

[4-(but-2-ynoxymethyl)-2,3,5,6-tetrafluorophenyl]methanol (PubChem CID 14423030) has the molecular formula C12H10F4O2 and a molecular weight of 262.20 g/mol. Its IUPAC name is [4-(but-2-ynoxymethyl)-2,3,5,6-tetrafluorophenyl]methanol.

Molecular Properties

Compound Name[4-(but-2-ynoxymethyl)-2,3,5,6-tetrafluorophenyl]methanol
PubChem CID14423030
Molecular FormulaC12H10F4O2
Molecular Weight262.20 g/mol
Exact Mass262.06
IUPAC Name[4-(but-2-ynoxymethyl)-2,3,5,6-tetrafluorophenyl]methanol
SMILESCC#CCOCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C12H10F4O2/c1-2-3-4-18-6-8-11(15)9(13)7(5-17)10(14)12(8)16/h17H,4-6H2,1H3
InChIKeyGUKLVKDTOIKXOD-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(but-2-ynoxymethyl)-2,3,5,6-tetrafluorophenyl]methanol?
The IUPAC name of [4-(but-2-ynoxymethyl)-2,3,5,6-tetrafluorophenyl]methanol (CID 14423030) is [4-(but-2-ynoxymethyl)-2,3,5,6-tetrafluorophenyl]methanol.
What is the SMILES notation for [4-(but-2-ynoxymethyl)-2,3,5,6-tetrafluorophenyl]methanol?
The canonical SMILES for [4-(but-2-ynoxymethyl)-2,3,5,6-tetrafluorophenyl]methanol is CC#CCOCc1c(F)c(F)c(CO)c(F)c1F.
What is the InChIKey of [4-(but-2-ynoxymethyl)-2,3,5,6-tetrafluorophenyl]methanol?
The InChIKey is GUKLVKDTOIKXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4O2/c1-2-3-4-18-6-8-11(15)9(13)7(5-17)10(14)12(8)16/h17H,4-6H2,1H3.
What are the key properties of [4-(but-2-ynoxymethyl)-2,3,5,6-tetrafluorophenyl]methanol?
[4-(but-2-ynoxymethyl)-2,3,5,6-tetrafluorophenyl]methanol has a molecular weight of 262.20 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(but-2-ynoxymethyl)-2,3,5,6-tetrafluorophenyl]methanol is sourced from PubChem (CID 14423030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).