2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]cyclopent-3-en-1-ol

C9H14F2O2 — CID 130152423

IUPAC2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]cyclopent-3-en-1-ol
SMILESCC(C)(C)OC1C=CC(F)(F)C1O
InChIInChI=1S/C9H14F2O2/c1-8(2,3)13-6-4-5-9(10,11)7(6)12/h4-7,12H,1-3H3
InChIKeyIJLPQOWNIZMVGM-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.74
Rot. Bonds1

About 2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]cyclopent-3-en-1-ol

2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]cyclopent-3-en-1-ol (PubChem CID 130152423) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is 2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]cyclopent-3-en-1-ol.

Molecular Properties

Compound Name2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]cyclopent-3-en-1-ol
PubChem CID130152423
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]cyclopent-3-en-1-ol
SMILESCC(C)(C)OC1C=CC(F)(F)C1O
InChIInChI=1S/C9H14F2O2/c1-8(2,3)13-6-4-5-9(10,11)7(6)12/h4-7,12H,1-3H3
InChIKeyIJLPQOWNIZMVGM-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2,3-Bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-dien-1-yl]methanol
CID 85158381
(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-ol
CID 66563296
(3Z,5R,6S,7S,8E,12E)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-ol
CID 70856201
7-Methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-ol
CID 77143390
(3S,4S,5R,6Z)-3-methoxy-5,7-dimethyl-8-[(2E)-3-(trifluoromethyl)hepta-2,6-dienoxy]octa-1,6-dien-4-ol
CID 89037117
(2R,5S)-2-[(E)-3-fluoroprop-1-enyl]-5-methyloxolane-3,4-diol
CID 89260219
2-(4,4-Difluoropent-2-enoxy)-2-methylpropan-1-ol
CID 91452014
(5R,6S,7S)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-ol
CID 123361710
3-Methoxy-5,7-dimethyl-8-[3-(trifluoromethyl)hepta-2,6-dienoxy]octa-1,6-dien-4-ol
CID 123390442
(3S,4S,5R,6Z)-3-methoxy-5,7-dimethyl-8-[(Z)-3-(trifluoromethyl)hex-2-enoxy]octa-1,6-dien-4-ol
CID 137427837
2-[(E)-4,4-difluoropent-2-enoxy]-2-methylpropan-1-ol;ethane
CID 144089189
2-[(E)-4,4-difluoropent-2-enoxy]-2-methylpropan-1-ol
CID 144089190

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]cyclopent-3-en-1-ol?
The IUPAC name of 2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]cyclopent-3-en-1-ol (CID 130152423) is 2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]cyclopent-3-en-1-ol.
What is the SMILES notation for 2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]cyclopent-3-en-1-ol?
The canonical SMILES for 2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]cyclopent-3-en-1-ol is CC(C)(C)OC1C=CC(F)(F)C1O.
What is the InChIKey of 2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]cyclopent-3-en-1-ol?
The InChIKey is IJLPQOWNIZMVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c1-8(2,3)13-6-4-5-9(10,11)7(6)12/h4-7,12H,1-3H3.
What are the key properties of 2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]cyclopent-3-en-1-ol?
2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]cyclopent-3-en-1-ol has a molecular weight of 192.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]cyclopent-3-en-1-ol is sourced from PubChem (CID 130152423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).