2,6-difluoro-1-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-ol

C8H7F5O2 — CID 140699020

IUPAC2,6-difluoro-1-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-ol
SMILESOC1(OCC(F)(F)F)C(F)=CC=CC1F
InChIInChI=1S/C8H7F5O2/c9-5-2-1-3-6(10)8(5,14)15-4-7(11,12)13/h1-3,5,14H,4H2
InChIKeyNPVLACXLBFEAOC-UHFFFAOYSA-N
MW230.13 g/mol
LogP2.02
Rot. Bonds2

About 2,6-difluoro-1-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-ol

2,6-difluoro-1-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-ol (PubChem CID 140699020) has the molecular formula C8H7F5O2 and a molecular weight of 230.13 g/mol. Its IUPAC name is 2,6-difluoro-1-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2,6-difluoro-1-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-ol
PubChem CID140699020
Molecular FormulaC8H7F5O2
Molecular Weight230.13 g/mol
Exact Mass230.04
IUPAC Name2,6-difluoro-1-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-ol
SMILESOC1(OCC(F)(F)F)C(F)=CC=CC1F
InChIInChI=1S/C8H7F5O2/c9-5-2-1-3-6(10)8(5,14)15-4-7(11,12)13/h1-3,5,14H,4H2
InChIKeyNPVLACXLBFEAOC-UHFFFAOYSA-N
XLogP2.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.13
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3,3,4,4-pentafluoro-5,5-bis(2,2,2-trifluoroethoxy)cyclopentene
CID 155670568
1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol
CID 167932975
2-fluoro-3-(2,2,2-trifluoroethoxy)pyrazine
CID 133054545
3,3,4,4-tetrafluoro-1,5,5-tris(2,2,2-trifluoroethoxy)cyclopentene
CID 155670544
2,6-difluorocyclohexa-2,4-dien-1-ol
CID 173042954
N-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide
CID 142217537
3,3,4-trifluoro-4-(2,2,2-trifluoroethoxy)tricyclo[4.2.1.02,5]non-7-ene
CID 123655038
[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 173175959
6-fluoro-6-methyl-5-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-olate
CID 150784798
5,10-dihydroxy-2,7-bis(2,2,2-trifluoroethoxy)-4,9-dioxatricyclo[5.3.0.02,6]decane-3,8-dione
CID 163685803
3-(2,2,2-trifluoroethoxy)pyrazole-3-carboxamide
CID 174851025
(5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 131977860

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-1-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 2,6-difluoro-1-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-ol (CID 140699020) is 2,6-difluoro-1-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2,6-difluoro-1-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2,6-difluoro-1-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-ol is OC1(OCC(F)(F)F)C(F)=CC=CC1F.
What is the InChIKey of 2,6-difluoro-1-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-ol?
The InChIKey is NPVLACXLBFEAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5O2/c9-5-2-1-3-6(10)8(5,14)15-4-7(11,12)13/h1-3,5,14H,4H2.
What are the key properties of 2,6-difluoro-1-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-ol?
2,6-difluoro-1-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-ol has a molecular weight of 230.13 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-1-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 140699020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).