(2,3,4,5,6-pentafluorophenoxy)methanol

C7H3F5O2 — CID 87333321

IUPAC(2,3,4,5,6-pentafluorophenoxy)methanol
SMILESOCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H3F5O2/c8-2-3(9)5(11)7(14-1-13)6(12)4(2)10/h13H,1H2
InChIKeyVKPKDBAYEWWICB-UHFFFAOYSA-N
MW214.09 g/mol
LogP1.71
Rot. Bonds2

About (2,3,4,5,6-pentafluorophenoxy)methanol

(2,3,4,5,6-pentafluorophenoxy)methanol (PubChem CID 87333321) has the molecular formula C7H3F5O2 and a molecular weight of 214.09 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenoxy)methanol.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenoxy)methanol
PubChem CID87333321
Molecular FormulaC7H3F5O2
Molecular Weight214.09 g/mol
Exact Mass214.01
IUPAC Name(2,3,4,5,6-pentafluorophenoxy)methanol
SMILESOCOc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H3F5O2/c8-2-3(9)5(11)7(14-1-13)6(12)4(2)10/h13H,1H2
InChIKeyVKPKDBAYEWWICB-UHFFFAOYSA-N
XLogP1.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene
CID 2833797
1,2,3,4,5-pentafluoro-6-(hydroperoxymethoxy)benzene
CID 170082049
6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol
CID 177082644
2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene
CID 12954352
1,2,3,4,5-pentafluoro-6-prop-2-ynoxybenzene
CID 12673177
3-(2,3,4,5,6-pentafluorophenoxy)propylazanium
CID 7355967
1,2,3,4,5-pentafluoro-6-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]phenyl]methoxy]benzene
CID 629724
2-(2,3,4,5,6-pentafluorophenoxy)acetohydrazide
CID 3248816
dimethyl-bis[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]azanium
CID 155656975
3-(2,3,4,5,6-pentafluorophenoxy)propanal
CID 63039667
ethyl 2-(2,3,4,5,6-pentafluorophenoxy)acetate
CID 4513854
1-amino-4-(2,3,4,5,6-pentafluorophenoxy)butan-2-ol
CID 64814642

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenoxy)methanol?
The IUPAC name of (2,3,4,5,6-pentafluorophenoxy)methanol (CID 87333321) is (2,3,4,5,6-pentafluorophenoxy)methanol.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenoxy)methanol?
The canonical SMILES for (2,3,4,5,6-pentafluorophenoxy)methanol is OCOc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5,6-pentafluorophenoxy)methanol?
The InChIKey is VKPKDBAYEWWICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5O2/c8-2-3(9)5(11)7(14-1-13)6(12)4(2)10/h13H,1H2.
What are the key properties of (2,3,4,5,6-pentafluorophenoxy)methanol?
(2,3,4,5,6-pentafluorophenoxy)methanol has a molecular weight of 214.09 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenoxy)methanol is sourced from PubChem (CID 87333321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).