3-(difluoromethyl)-4-methylcyclopent-3-en-1-ol;3-methyl-4-(trifluoromethyl)cyclopent-3-en-1-ol

C14H19F5O2 — CID 158679599

IUPAC3-(difluoromethyl)-4-methylcyclopent-3-en-1-ol;3-methyl-4-(trifluoromethyl)cyclopent-3-en-1-ol
SMILESCC1=C(C(F)(F)F)CC(O)C1.CC1=C(C(F)F)CC(O)C1
InChIInChI=1S/C7H9F3O.C7H10F2O/c1-4-2-5(11)3-6(4)7(8,9)10;1-4-2-5(10)3-6(4)7(8)9/h5,11H,2-3H2,1H3;5,7,10H,2-3H2,1H3
InChIKeyIEYIYRGWBXDUFN-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.74
Rot. Bonds1

About 3-(difluoromethyl)-4-methylcyclopent-3-en-1-ol;3-methyl-4-(trifluoromethyl)cyclopent-3-en-1-ol

3-(difluoromethyl)-4-methylcyclopent-3-en-1-ol;3-methyl-4-(trifluoromethyl)cyclopent-3-en-1-ol (PubChem CID 158679599) has the molecular formula C14H19F5O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-methylcyclopent-3-en-1-ol;3-methyl-4-(trifluoromethyl)cyclopent-3-en-1-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-4-methylcyclopent-3-en-1-ol;3-methyl-4-(trifluoromethyl)cyclopent-3-en-1-ol
PubChem CID158679599
Molecular FormulaC14H19F5O2
Molecular Weight314.29 g/mol
Exact Mass314.13
IUPAC Name3-(difluoromethyl)-4-methylcyclopent-3-en-1-ol;3-methyl-4-(trifluoromethyl)cyclopent-3-en-1-ol
SMILESCC1=C(C(F)(F)F)CC(O)C1.CC1=C(C(F)F)CC(O)C1
InChIInChI=1S/C7H9F3O.C7H10F2O/c1-4-2-5(11)3-6(4)7(8,9)10;1-4-2-5(10)3-6(4)7(8)9/h5,11H,2-3H2,1H3;5,7,10H,2-3H2,1H3
InChIKeyIEYIYRGWBXDUFN-UHFFFAOYSA-N
XLogP3.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-methylcyclopent-3-en-1-ol;3-methyl-4-(trifluoromethyl)cyclopent-3-en-1-ol?
The IUPAC name of 3-(difluoromethyl)-4-methylcyclopent-3-en-1-ol;3-methyl-4-(trifluoromethyl)cyclopent-3-en-1-ol (CID 158679599) is 3-(difluoromethyl)-4-methylcyclopent-3-en-1-ol;3-methyl-4-(trifluoromethyl)cyclopent-3-en-1-ol.
What is the SMILES notation for 3-(difluoromethyl)-4-methylcyclopent-3-en-1-ol;3-methyl-4-(trifluoromethyl)cyclopent-3-en-1-ol?
The canonical SMILES for 3-(difluoromethyl)-4-methylcyclopent-3-en-1-ol;3-methyl-4-(trifluoromethyl)cyclopent-3-en-1-ol is CC1=C(C(F)(F)F)CC(O)C1.CC1=C(C(F)F)CC(O)C1.
What is the InChIKey of 3-(difluoromethyl)-4-methylcyclopent-3-en-1-ol;3-methyl-4-(trifluoromethyl)cyclopent-3-en-1-ol?
The InChIKey is IEYIYRGWBXDUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O.C7H10F2O/c1-4-2-5(11)3-6(4)7(8,9)10;1-4-2-5(10)3-6(4)7(8)9/h5,11H,2-3H2,1H3;5,7,10H,2-3H2,1H3.
What are the key properties of 3-(difluoromethyl)-4-methylcyclopent-3-en-1-ol;3-methyl-4-(trifluoromethyl)cyclopent-3-en-1-ol?
3-(difluoromethyl)-4-methylcyclopent-3-en-1-ol;3-methyl-4-(trifluoromethyl)cyclopent-3-en-1-ol has a molecular weight of 314.29 g/mol, XLogP of 3.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-methylcyclopent-3-en-1-ol;3-methyl-4-(trifluoromethyl)cyclopent-3-en-1-ol is sourced from PubChem (CID 158679599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).