1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-(2-methylprop-2-enyl)cyclobut-2-en-1-yl]propan-2-ol

C11H11F7O — CID 58854821

IUPAC1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-(2-methylprop-2-enyl)cyclobut-2-en-1-yl]propan-2-ol
SMILESC=C(C)CC1(C(O)(C(F)(F)F)C(F)(F)F)C=C(F)C1
InChIInChI=1S/C11H11F7O/c1-6(2)3-8(4-7(12)5-8)9(19,10(13,14)15)11(16,17)18/h4,19H,1,3,5H2,2H3
InChIKeyNEZIWLMTABQCQP-UHFFFAOYSA-N
MW292.19 g/mol
LogP4.05
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-(2-methylprop-2-enyl)cyclobut-2-en-1-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-(2-methylprop-2-enyl)cyclobut-2-en-1-yl]propan-2-ol (PubChem CID 58854821) has the molecular formula C11H11F7O and a molecular weight of 292.19 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-(2-methylprop-2-enyl)cyclobut-2-en-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-(2-methylprop-2-enyl)cyclobut-2-en-1-yl]propan-2-ol
PubChem CID58854821
Molecular FormulaC11H11F7O
Molecular Weight292.19 g/mol
Exact Mass292.07
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-(2-methylprop-2-enyl)cyclobut-2-en-1-yl]propan-2-ol
SMILESC=C(C)CC1(C(O)(C(F)(F)F)C(F)(F)F)C=C(F)C1
InChIInChI=1S/C11H11F7O/c1-6(2)3-8(4-7(12)5-8)9(19,10(13,14)15)11(16,17)18/h4,19H,1,3,5H2,2H3
InChIKeyNEZIWLMTABQCQP-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-(3-fluoro-1-prop-2-enylcyclobut-2-en-1-yl)propan-2-ol
CID 58854814
1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-[(E)-4,4,4-trifluorobut-2-enyl]cyclobut-2-en-1-yl]propan-2-ol
CID 58854820
2-[1-(3,3-Difluoroprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58854824
4-Tert-butyl-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hept-5-en-2-ol
CID 88902184
1,1,1,3,3,3-Hexafluoro-2-(1-methylcyclohex-3-en-1-yl)propan-2-ol
CID 89211045
2-[4-(3,3-Dimethylbutyl)cyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 89380213
5-Tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol
CID 91173779
7-Tert-butyl-3-ethyl-1,1,1-trifluoro-9-methyl-6-methylidene-2-(trifluoromethyl)dec-4-en-2-ol
CID 123487374
6-Tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol
CID 123817598
(E)-4,5,8-triethyl-6,6,9,9,10,10,10-heptafluoro-2,4,5-trimethyldec-7-en-2-ol
CID 173477285
1,1,1,2,2-Pentafluoro-3,7-dimethyl-6-octen-3-ol
CID 13495700
1,1,1-Trifluoro-6,6-dimethyl-5-methylidene-2-(trifluoromethyl)hept-2-en-3-ol
CID 101358116

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-(2-methylprop-2-enyl)cyclobut-2-en-1-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-(2-methylprop-2-enyl)cyclobut-2-en-1-yl]propan-2-ol (CID 58854821) is 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-(2-methylprop-2-enyl)cyclobut-2-en-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-(2-methylprop-2-enyl)cyclobut-2-en-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-(2-methylprop-2-enyl)cyclobut-2-en-1-yl]propan-2-ol is C=C(C)CC1(C(O)(C(F)(F)F)C(F)(F)F)C=C(F)C1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-(2-methylprop-2-enyl)cyclobut-2-en-1-yl]propan-2-ol?
The InChIKey is NEZIWLMTABQCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F7O/c1-6(2)3-8(4-7(12)5-8)9(19,10(13,14)15)11(16,17)18/h4,19H,1,3,5H2,2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-(2-methylprop-2-enyl)cyclobut-2-en-1-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-(2-methylprop-2-enyl)cyclobut-2-en-1-yl]propan-2-ol has a molecular weight of 292.19 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-(2-methylprop-2-enyl)cyclobut-2-en-1-yl]propan-2-ol is sourced from PubChem (CID 58854821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).