(4-ethynyl-2,3,5,6-tetrafluorophenyl)methanol

C9H4F4O — CID 14423021

IUPAC(4-ethynyl-2,3,5,6-tetrafluorophenyl)methanol
SMILESC#Cc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C9H4F4O/c1-2-4-6(10)8(12)5(3-14)9(13)7(4)11/h1,14H,3H2
InChIKeyBNPWGHGYEZCYOD-UHFFFAOYSA-N
MW204.12 g/mol
LogP1.72
Rot. Bonds1

About (4-ethynyl-2,3,5,6-tetrafluorophenyl)methanol

(4-ethynyl-2,3,5,6-tetrafluorophenyl)methanol (PubChem CID 14423021) has the molecular formula C9H4F4O and a molecular weight of 204.12 g/mol. Its IUPAC name is (4-ethynyl-2,3,5,6-tetrafluorophenyl)methanol.

Molecular Properties

Compound Name(4-ethynyl-2,3,5,6-tetrafluorophenyl)methanol
PubChem CID14423021
Molecular FormulaC9H4F4O
Molecular Weight204.12 g/mol
Exact Mass204.02
IUPAC Name(4-ethynyl-2,3,5,6-tetrafluorophenyl)methanol
SMILESC#Cc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C9H4F4O/c1-2-4-6(10)8(12)5(3-14)9(13)7(4)11/h1,14H,3H2
InChIKeyBNPWGHGYEZCYOD-UHFFFAOYSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.12
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-ethynyl-2,3,5,6-tetrafluorophenyl)methanol?
The IUPAC name of (4-ethynyl-2,3,5,6-tetrafluorophenyl)methanol (CID 14423021) is (4-ethynyl-2,3,5,6-tetrafluorophenyl)methanol.
What is the SMILES notation for (4-ethynyl-2,3,5,6-tetrafluorophenyl)methanol?
The canonical SMILES for (4-ethynyl-2,3,5,6-tetrafluorophenyl)methanol is C#Cc1c(F)c(F)c(CO)c(F)c1F.
What is the InChIKey of (4-ethynyl-2,3,5,6-tetrafluorophenyl)methanol?
The InChIKey is BNPWGHGYEZCYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F4O/c1-2-4-6(10)8(12)5(3-14)9(13)7(4)11/h1,14H,3H2.
What are the key properties of (4-ethynyl-2,3,5,6-tetrafluorophenyl)methanol?
(4-ethynyl-2,3,5,6-tetrafluorophenyl)methanol has a molecular weight of 204.12 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethynyl-2,3,5,6-tetrafluorophenyl)methanol is sourced from PubChem (CID 14423021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).