4-(4,4-dimethyl-3-methylidenepentyl)-2-fluorocyclopentan-1-ol

C13H23FO — CID 129300055

IUPAC4-(4,4-dimethyl-3-methylidenepentyl)-2-fluorocyclopentan-1-ol
SMILESC=C(CCC1CC(O)C(F)C1)C(C)(C)C
InChIInChI=1S/C13H23FO/c1-9(13(2,3)4)5-6-10-7-11(14)12(15)8-10/h10-12,15H,1,5-8H2,2-4H3
InChIKeyQOZQHTOGNFGSEY-UHFFFAOYSA-N
MW214.32 g/mol
LogP3.48
Rot. Bonds3

About 4-(4,4-dimethyl-3-methylidenepentyl)-2-fluorocyclopentan-1-ol

4-(4,4-dimethyl-3-methylidenepentyl)-2-fluorocyclopentan-1-ol (PubChem CID 129300055) has the molecular formula C13H23FO and a molecular weight of 214.32 g/mol. Its IUPAC name is 4-(4,4-dimethyl-3-methylidenepentyl)-2-fluorocyclopentan-1-ol.

Molecular Properties

Compound Name4-(4,4-dimethyl-3-methylidenepentyl)-2-fluorocyclopentan-1-ol
PubChem CID129300055
Molecular FormulaC13H23FO
Molecular Weight214.32 g/mol
Exact Mass214.17
IUPAC Name4-(4,4-dimethyl-3-methylidenepentyl)-2-fluorocyclopentan-1-ol
SMILESC=C(CCC1CC(O)C(F)C1)C(C)(C)C
InChIInChI=1S/C13H23FO/c1-9(13(2,3)4)5-6-10-7-11(14)12(15)8-10/h10-12,15H,1,5-8H2,2-4H3
InChIKeyQOZQHTOGNFGSEY-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 53.48
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-(4,4-dimethyl-3-methylidenepentyl)-2-fluorocyclopentan-1-ol?
The IUPAC name of 4-(4,4-dimethyl-3-methylidenepentyl)-2-fluorocyclopentan-1-ol (CID 129300055) is 4-(4,4-dimethyl-3-methylidenepentyl)-2-fluorocyclopentan-1-ol.
What is the SMILES notation for 4-(4,4-dimethyl-3-methylidenepentyl)-2-fluorocyclopentan-1-ol?
The canonical SMILES for 4-(4,4-dimethyl-3-methylidenepentyl)-2-fluorocyclopentan-1-ol is C=C(CCC1CC(O)C(F)C1)C(C)(C)C.
What is the InChIKey of 4-(4,4-dimethyl-3-methylidenepentyl)-2-fluorocyclopentan-1-ol?
The InChIKey is QOZQHTOGNFGSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FO/c1-9(13(2,3)4)5-6-10-7-11(14)12(15)8-10/h10-12,15H,1,5-8H2,2-4H3.
What are the key properties of 4-(4,4-dimethyl-3-methylidenepentyl)-2-fluorocyclopentan-1-ol?
4-(4,4-dimethyl-3-methylidenepentyl)-2-fluorocyclopentan-1-ol has a molecular weight of 214.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-3-methylidenepentyl)-2-fluorocyclopentan-1-ol is sourced from PubChem (CID 129300055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).