potassium (4Z,5E)-4-ethylidene-2,2-difluoro-5-prop-2-enylidenecyclopentan-1-ol

C10H11F2KO — CID 154678278

IUPACpotassium (4Z,5E)-4-ethylidene-2,2-difluoro-5-prop-2-enylidenecyclopentan-1-ol
SMILESC=C/C=C1C(=C/C)\[CH-]C(F)(F)C\1O.[K+]
InChIInChI=1S/C10H11F2O.K/c1-3-5-8-7(4-2)6-10(11,12)9(8)13;/h3-6,9,13H,1H2,2H3;/q-1;+1/b7-4-,8-5+;
InChIKeyZCHFYWHPTUPTFM-QMKOBIDDSA-N
MW224.29 g/mol
LogP-0.74
Rot. Bonds1

About potassium (4Z,5E)-4-ethylidene-2,2-difluoro-5-prop-2-enylidenecyclopentan-1-ol

potassium (4Z,5E)-4-ethylidene-2,2-difluoro-5-prop-2-enylidenecyclopentan-1-ol (PubChem CID 154678278) has the molecular formula C10H11F2KO and a molecular weight of 224.29 g/mol. Its IUPAC name is potassium (4Z,5E)-4-ethylidene-2,2-difluoro-5-prop-2-enylidenecyclopentan-1-ol.

Molecular Properties

Compound Namepotassium (4Z,5E)-4-ethylidene-2,2-difluoro-5-prop-2-enylidenecyclopentan-1-ol
PubChem CID154678278
Molecular FormulaC10H11F2KO
Molecular Weight224.29 g/mol
Exact Mass224.04
IUPAC Namepotassium (4Z,5E)-4-ethylidene-2,2-difluoro-5-prop-2-enylidenecyclopentan-1-ol
SMILESC=C/C=C1C(=C/C)\[CH-]C(F)(F)C\1O.[K+]
InChIInChI=1S/C10H11F2O.K/c1-3-5-8-7(4-2)6-10(11,12)9(8)13;/h3-6,9,13H,1H2,2H3;/q-1;+1/b7-4-,8-5+;
InChIKeyZCHFYWHPTUPTFM-QMKOBIDDSA-N
XLogP-0.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(RS)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-ol
CID 15389979
4-(Fluoromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol
CID 53759385
(1S)-4-(fluoromethylidene)-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol
CID 56606889
(1S)-2-methyl-4-methylidene-3-(2,2,2-trifluoroethyl)cyclopent-2-en-1-ol
CID 67641007
(Z,3E)-1,1,1-trifluoro-3-propylidenehept-4-en-2-ol
CID 89135602
(3E,5Z)-3-ethenyl-1,1,1-trifluorohepta-3,5-dien-2-ol
CID 89209626
(4Z,6Z)-1,1,1-trifluoro-3-methylideneocta-4,6-dien-2-ol
CID 89209828
4-Ethylidene-7-fluoroocta-5,7-dien-3-ol
CID 91057405
(1R,2E)-2-[(2E)-3-fluoropenta-2,4-dienylidene]cyclopentan-1-ol
CID 117804308
2-(Difluoromethyl)-5-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 118281593
5-Methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 118396525
3,3-Difluoro-4-methylocta-4,6-dien-2-ol
CID 123329542

Frequently Asked Questions

What is the IUPAC name of potassium (4Z,5E)-4-ethylidene-2,2-difluoro-5-prop-2-enylidenecyclopentan-1-ol?
The IUPAC name of potassium (4Z,5E)-4-ethylidene-2,2-difluoro-5-prop-2-enylidenecyclopentan-1-ol (CID 154678278) is potassium (4Z,5E)-4-ethylidene-2,2-difluoro-5-prop-2-enylidenecyclopentan-1-ol.
What is the SMILES notation for potassium (4Z,5E)-4-ethylidene-2,2-difluoro-5-prop-2-enylidenecyclopentan-1-ol?
The canonical SMILES for potassium (4Z,5E)-4-ethylidene-2,2-difluoro-5-prop-2-enylidenecyclopentan-1-ol is C=C/C=C1C(=C/C)\[CH-]C(F)(F)C\1O.[K+].
What is the InChIKey of potassium (4Z,5E)-4-ethylidene-2,2-difluoro-5-prop-2-enylidenecyclopentan-1-ol?
The InChIKey is ZCHFYWHPTUPTFM-QMKOBIDDSA-N. The full InChI is InChI=1S/C10H11F2O.K/c1-3-5-8-7(4-2)6-10(11,12)9(8)13;/h3-6,9,13H,1H2,2H3;/q-1;+1/b7-4-,8-5+;.
What are the key properties of potassium (4Z,5E)-4-ethylidene-2,2-difluoro-5-prop-2-enylidenecyclopentan-1-ol?
potassium (4Z,5E)-4-ethylidene-2,2-difluoro-5-prop-2-enylidenecyclopentan-1-ol has a molecular weight of 224.29 g/mol, XLogP of -0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4Z,5E)-4-ethylidene-2,2-difluoro-5-prop-2-enylidenecyclopentan-1-ol is sourced from PubChem (CID 154678278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).