(2,3,5,6-tetrafluoro-4-prop-2-ynylphenyl)methanol

C10H6F4O — CID 11435909

IUPAC(2,3,5,6-tetrafluoro-4-prop-2-ynylphenyl)methanol
SMILESC#CCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C10H6F4O/c1-2-3-5-7(11)9(13)6(4-15)10(14)8(5)12/h1,15H,3-4H2
InChIKeyHSWOILMZLAARCG-UHFFFAOYSA-N
MW218.15 g/mol
LogP1.91
Rot. Bonds2

About (2,3,5,6-tetrafluoro-4-prop-2-ynylphenyl)methanol

(2,3,5,6-tetrafluoro-4-prop-2-ynylphenyl)methanol (PubChem CID 11435909) has the molecular formula C10H6F4O and a molecular weight of 218.15 g/mol. Its IUPAC name is (2,3,5,6-tetrafluoro-4-prop-2-ynylphenyl)methanol.

Molecular Properties

Compound Name(2,3,5,6-tetrafluoro-4-prop-2-ynylphenyl)methanol
PubChem CID11435909
Molecular FormulaC10H6F4O
Molecular Weight218.15 g/mol
Exact Mass218.04
IUPAC Name(2,3,5,6-tetrafluoro-4-prop-2-ynylphenyl)methanol
SMILESC#CCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C10H6F4O/c1-2-3-5-7(11)9(13)6(4-15)10(14)8(5)12/h1,15H,3-4H2
InChIKeyHSWOILMZLAARCG-UHFFFAOYSA-N
XLogP1.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 51.91
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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Related Compounds

2,3,4,5,6-Pentafluorobenzyl Alcohol
CID 9923
4-Methyl-2,3,5,6-tetrafluorobenzyl alcohol
CID 2734209
4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)benzyl alcohol
CID 16211365
4-(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)benzyl alcohol
CID 16211129
1-(Pentafluorophenyl)ethanol
CID 98288
(S)-(-)-alpha-Methyl-2,3,4,5,6-pentafluorobenzyl alcohol
CID 6993305
[4-(Heptadecafluorooctyl)phenyl]methanol
CID 57370344
[4-(Heptafluoropropan-2-yl)phenyl]methanol
CID 125424508
(Perfluoropropyl)(perfluorophenyl)methanol
CID 129669940
(R)-(+)-alpha-Methyl-2,3,4,5,6-pentafluorobenzyl alcohol
CID 7014870
2,3,5,6-Tetrafluoro-1,4-benzenedimethanol
CID 4098835
[4-(Prop-2-yn-1-yl)phenyl]methanol
CID 11332545

Frequently Asked Questions

What is the IUPAC name of (2,3,5,6-tetrafluoro-4-prop-2-ynylphenyl)methanol?
The IUPAC name of (2,3,5,6-tetrafluoro-4-prop-2-ynylphenyl)methanol (CID 11435909) is (2,3,5,6-tetrafluoro-4-prop-2-ynylphenyl)methanol.
What is the SMILES notation for (2,3,5,6-tetrafluoro-4-prop-2-ynylphenyl)methanol?
The canonical SMILES for (2,3,5,6-tetrafluoro-4-prop-2-ynylphenyl)methanol is C#CCc1c(F)c(F)c(CO)c(F)c1F.
What is the InChIKey of (2,3,5,6-tetrafluoro-4-prop-2-ynylphenyl)methanol?
The InChIKey is HSWOILMZLAARCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4O/c1-2-3-5-7(11)9(13)6(4-15)10(14)8(5)12/h1,15H,3-4H2.
What are the key properties of (2,3,5,6-tetrafluoro-4-prop-2-ynylphenyl)methanol?
(2,3,5,6-tetrafluoro-4-prop-2-ynylphenyl)methanol has a molecular weight of 218.15 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5,6-tetrafluoro-4-prop-2-ynylphenyl)methanol is sourced from PubChem (CID 11435909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).