2,4-difluoro-1-pentoxycyclohexa-1,3-diene

C11H16F2O — CID 163689146

IUPAC2,4-difluoro-1-pentoxycyclohexa-1,3-diene
SMILESCCCCCOC1=C(F)C=C(F)CC1
InChIInChI=1S/C11H16F2O/c1-2-3-4-7-14-11-6-5-9(12)8-10(11)13/h8H,2-7H2,1H3
InChIKeyJRLNIPRSPLZNLQ-UHFFFAOYSA-N
MW202.24 g/mol
LogP4.02
Rot. Bonds5

About 2,4-difluoro-1-pentoxycyclohexa-1,3-diene

2,4-difluoro-1-pentoxycyclohexa-1,3-diene (PubChem CID 163689146) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 2,4-difluoro-1-pentoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name2,4-difluoro-1-pentoxycyclohexa-1,3-diene
PubChem CID163689146
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name2,4-difluoro-1-pentoxycyclohexa-1,3-diene
SMILESCCCCCOC1=C(F)C=C(F)CC1
InChIInChI=1S/C11H16F2O/c1-2-3-4-7-14-11-6-5-9(12)8-10(11)13/h8H,2-7H2,1H3
InChIKeyJRLNIPRSPLZNLQ-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 54.02
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 2,4-difluoro-1-pentoxycyclohexa-1,3-diene?
The IUPAC name of 2,4-difluoro-1-pentoxycyclohexa-1,3-diene (CID 163689146) is 2,4-difluoro-1-pentoxycyclohexa-1,3-diene.
What is the SMILES notation for 2,4-difluoro-1-pentoxycyclohexa-1,3-diene?
The canonical SMILES for 2,4-difluoro-1-pentoxycyclohexa-1,3-diene is CCCCCOC1=C(F)C=C(F)CC1.
What is the InChIKey of 2,4-difluoro-1-pentoxycyclohexa-1,3-diene?
The InChIKey is JRLNIPRSPLZNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O/c1-2-3-4-7-14-11-6-5-9(12)8-10(11)13/h8H,2-7H2,1H3.
What are the key properties of 2,4-difluoro-1-pentoxycyclohexa-1,3-diene?
2,4-difluoro-1-pentoxycyclohexa-1,3-diene has a molecular weight of 202.24 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-pentoxycyclohexa-1,3-diene is sourced from PubChem (CID 163689146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).