1-(2-fluoroethyl)-4-pentoxycyclohexane

C13H25FO — CID 18343980

IUPAC1-(2-fluoroethyl)-4-pentoxycyclohexane
SMILESCCCCCOC1CCC(CCF)CC1
InChIInChI=1S/C13H25FO/c1-2-3-4-11-15-13-7-5-12(6-8-13)9-10-14/h12-13H,2-11H2,1H3
InChIKeySJLIWCNBLOCEIO-UHFFFAOYSA-N
MW216.34 g/mol
LogP4.11
Rot. Bonds7

About 1-(2-fluoroethyl)-4-pentoxycyclohexane

1-(2-fluoroethyl)-4-pentoxycyclohexane (PubChem CID 18343980) has the molecular formula C13H25FO and a molecular weight of 216.34 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-pentoxycyclohexane.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-pentoxycyclohexane
PubChem CID18343980
Molecular FormulaC13H25FO
Molecular Weight216.34 g/mol
Exact Mass216.19
IUPAC Name1-(2-fluoroethyl)-4-pentoxycyclohexane
SMILESCCCCCOC1CCC(CCF)CC1
InChIInChI=1S/C13H25FO/c1-2-3-4-11-15-13-7-5-12(6-8-13)9-10-14/h12-13H,2-11H2,1H3
InChIKeySJLIWCNBLOCEIO-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-pentoxycyclohexane?
The IUPAC name of 1-(2-fluoroethyl)-4-pentoxycyclohexane (CID 18343980) is 1-(2-fluoroethyl)-4-pentoxycyclohexane.
What is the SMILES notation for 1-(2-fluoroethyl)-4-pentoxycyclohexane?
The canonical SMILES for 1-(2-fluoroethyl)-4-pentoxycyclohexane is CCCCCOC1CCC(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-pentoxycyclohexane?
The InChIKey is SJLIWCNBLOCEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FO/c1-2-3-4-11-15-13-7-5-12(6-8-13)9-10-14/h12-13H,2-11H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-pentoxycyclohexane?
1-(2-fluoroethyl)-4-pentoxycyclohexane has a molecular weight of 216.34 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-pentoxycyclohexane is sourced from PubChem (CID 18343980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).