2-(2-fluoropent-4-enyl)cyclononan-1-ol

C14H25FO — CID 123652260

IUPAC2-(2-fluoropent-4-enyl)cyclononan-1-ol
SMILESC=CCC(F)CC1CCCCCCCC1O
InChIInChI=1S/C14H25FO/c1-2-8-13(15)11-12-9-6-4-3-5-7-10-14(12)16/h2,12-14,16H,1,3-11H2
InChIKeyVOGKMPXAYPLPBN-UHFFFAOYSA-N
MW228.35 g/mol
LogP4.01
Rot. Bonds4

About 2-(2-fluoropent-4-enyl)cyclononan-1-ol

2-(2-fluoropent-4-enyl)cyclononan-1-ol (PubChem CID 123652260) has the molecular formula C14H25FO and a molecular weight of 228.35 g/mol. Its IUPAC name is 2-(2-fluoropent-4-enyl)cyclononan-1-ol.

Molecular Properties

Compound Name2-(2-fluoropent-4-enyl)cyclononan-1-ol
PubChem CID123652260
Molecular FormulaC14H25FO
Molecular Weight228.35 g/mol
Exact Mass228.19
IUPAC Name2-(2-fluoropent-4-enyl)cyclononan-1-ol
SMILESC=CCC(F)CC1CCCCCCCC1O
InChIInChI=1S/C14H25FO/c1-2-8-13(15)11-12-9-6-4-3-5-7-10-14(12)16/h2,12-14,16H,1,3-11H2
InChIKeyVOGKMPXAYPLPBN-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 54.01
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 2-(2-fluoropent-4-enyl)cyclononan-1-ol?
The IUPAC name of 2-(2-fluoropent-4-enyl)cyclononan-1-ol (CID 123652260) is 2-(2-fluoropent-4-enyl)cyclononan-1-ol.
What is the SMILES notation for 2-(2-fluoropent-4-enyl)cyclononan-1-ol?
The canonical SMILES for 2-(2-fluoropent-4-enyl)cyclononan-1-ol is C=CCC(F)CC1CCCCCCCC1O.
What is the InChIKey of 2-(2-fluoropent-4-enyl)cyclononan-1-ol?
The InChIKey is VOGKMPXAYPLPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FO/c1-2-8-13(15)11-12-9-6-4-3-5-7-10-14(12)16/h2,12-14,16H,1,3-11H2.
What are the key properties of 2-(2-fluoropent-4-enyl)cyclononan-1-ol?
2-(2-fluoropent-4-enyl)cyclononan-1-ol has a molecular weight of 228.35 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropent-4-enyl)cyclononan-1-ol is sourced from PubChem (CID 123652260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).