4-(2,3,4,5,6-pentafluorophenoxy)cyclohexan-1-ol

C12H11F5O2 — CID 117051213

IUPAC4-(2,3,4,5,6-pentafluorophenoxy)cyclohexan-1-ol
SMILESOC1CCC(Oc2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C12H11F5O2/c13-7-8(14)10(16)12(11(17)9(7)15)19-6-3-1-5(18)2-4-6/h5-6,18H,1-4H2
InChIKeyNYMKSJYYSOUICS-UHFFFAOYSA-N
MW282.21 g/mol
LogP3.06
Rot. Bonds2

About 4-(2,3,4,5,6-pentafluorophenoxy)cyclohexan-1-ol

4-(2,3,4,5,6-pentafluorophenoxy)cyclohexan-1-ol (PubChem CID 117051213) has the molecular formula C12H11F5O2 and a molecular weight of 282.21 g/mol. Its IUPAC name is 4-(2,3,4,5,6-pentafluorophenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2,3,4,5,6-pentafluorophenoxy)cyclohexan-1-ol
PubChem CID117051213
Molecular FormulaC12H11F5O2
Molecular Weight282.21 g/mol
Exact Mass282.07
IUPAC Name4-(2,3,4,5,6-pentafluorophenoxy)cyclohexan-1-ol
SMILESOC1CCC(Oc2c(F)c(F)c(F)c(F)c2F)CC1
InChIInChI=1S/C12H11F5O2/c13-7-8(14)10(16)12(11(17)9(7)15)19-6-3-1-5(18)2-4-6/h5-6,18H,1-4H2
InChIKeyNYMKSJYYSOUICS-UHFFFAOYSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 53.06
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'}

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Related Compounds

3-(2,3,4,5,6-pentafluorophenoxy)azetidine;hydrochloride
CID 134524404
N-methyl-4-(2,3,4,5,6-pentafluorophenoxy)piperidine-1-carboxamide
CID 19762454
(1S,5R)-8-methyl-3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane
CID 14575207
4-(2-bromo-4,5-difluorophenoxy)cyclohexan-1-ol
CID 59321670
(3S)-3-(2,3,4,5,6-pentafluorophenoxy)piperidine
CID 66246609
methyl 3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 19857919
cyclohexane-1,4-diol
CID 11162
(3S,4S)-4-(2,3,4,5,6-pentafluorophenoxy)pyrrolidin-3-ol
CID 114203459
4-(trifluoromethoxy)cyclohexan-1-ol
CID 137347053
(4-cyclopropyloxy-3,5-difluorophenyl)methanol
CID 126982122
2-fluoro-6-(4-hydroxycyclohexyl)oxybenzonitrile
CID 117096352
1,1-dioxo-4-(2,3,4,5,6-pentafluorophenoxy)thiolan-3-ol
CID 60879356

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5,6-pentafluorophenoxy)cyclohexan-1-ol?
The IUPAC name of 4-(2,3,4,5,6-pentafluorophenoxy)cyclohexan-1-ol (CID 117051213) is 4-(2,3,4,5,6-pentafluorophenoxy)cyclohexan-1-ol.
What is the SMILES notation for 4-(2,3,4,5,6-pentafluorophenoxy)cyclohexan-1-ol?
The canonical SMILES for 4-(2,3,4,5,6-pentafluorophenoxy)cyclohexan-1-ol is OC1CCC(Oc2c(F)c(F)c(F)c(F)c2F)CC1.
What is the InChIKey of 4-(2,3,4,5,6-pentafluorophenoxy)cyclohexan-1-ol?
The InChIKey is NYMKSJYYSOUICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5O2/c13-7-8(14)10(16)12(11(17)9(7)15)19-6-3-1-5(18)2-4-6/h5-6,18H,1-4H2.
What are the key properties of 4-(2,3,4,5,6-pentafluorophenoxy)cyclohexan-1-ol?
4-(2,3,4,5,6-pentafluorophenoxy)cyclohexan-1-ol has a molecular weight of 282.21 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5,6-pentafluorophenoxy)cyclohexan-1-ol is sourced from PubChem (CID 117051213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).