4-cyclopent-2-en-1-yl-2,2-difluoro-1-(trifluoromethyl)cyclobutan-1-ol

C10H11F5O — CID 70905946

IUPAC4-cyclopent-2-en-1-yl-2,2-difluoro-1-(trifluoromethyl)cyclobutan-1-ol
SMILESOC1(C(F)(F)F)C(C2C=CCC2)CC1(F)F
InChIInChI=1S/C10H11F5O/c11-8(12)5-7(6-3-1-2-4-6)9(8,16)10(13,14)15/h1,3,6-7,16H,2,4-5H2
InChIKeyCHDGBTXRVSSWNB-UHFFFAOYSA-N
MW242.19 g/mol
LogP2.90
Rot. Bonds1

About 4-cyclopent-2-en-1-yl-2,2-difluoro-1-(trifluoromethyl)cyclobutan-1-ol

4-cyclopent-2-en-1-yl-2,2-difluoro-1-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 70905946) has the molecular formula C10H11F5O and a molecular weight of 242.19 g/mol. Its IUPAC name is 4-cyclopent-2-en-1-yl-2,2-difluoro-1-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name4-cyclopent-2-en-1-yl-2,2-difluoro-1-(trifluoromethyl)cyclobutan-1-ol
PubChem CID70905946
Molecular FormulaC10H11F5O
Molecular Weight242.19 g/mol
Exact Mass242.07
IUPAC Name4-cyclopent-2-en-1-yl-2,2-difluoro-1-(trifluoromethyl)cyclobutan-1-ol
SMILESOC1(C(F)(F)F)C(C2C=CCC2)CC1(F)F
InChIInChI=1S/C10H11F5O/c11-8(12)5-7(6-3-1-2-4-6)9(8,16)10(13,14)15/h1,3,6-7,16H,2,4-5H2
InChIKeyCHDGBTXRVSSWNB-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-cyclopent-2-en-1-yl-2,2-difluoro-1-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of 4-cyclopent-2-en-1-yl-2,2-difluoro-1-(trifluoromethyl)cyclobutan-1-ol (CID 70905946) is 4-cyclopent-2-en-1-yl-2,2-difluoro-1-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 4-cyclopent-2-en-1-yl-2,2-difluoro-1-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 4-cyclopent-2-en-1-yl-2,2-difluoro-1-(trifluoromethyl)cyclobutan-1-ol is OC1(C(F)(F)F)C(C2C=CCC2)CC1(F)F.
What is the InChIKey of 4-cyclopent-2-en-1-yl-2,2-difluoro-1-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is CHDGBTXRVSSWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5O/c11-8(12)5-7(6-3-1-2-4-6)9(8,16)10(13,14)15/h1,3,6-7,16H,2,4-5H2.
What are the key properties of 4-cyclopent-2-en-1-yl-2,2-difluoro-1-(trifluoromethyl)cyclobutan-1-ol?
4-cyclopent-2-en-1-yl-2,2-difluoro-1-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 242.19 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopent-2-en-1-yl-2,2-difluoro-1-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 70905946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).