2,4-difluoro-1-octadec-9-enoxybenzene

C24H38F2O — CID 173351130

IUPAC2,4-difluoro-1-octadec-9-enoxybenzene
SMILESCCCCCCCCC=CCCCCCCCCOc1ccc(F)cc1F
InChIInChI=1S/C24H38F2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-24-19-18-22(25)21-23(24)26/h9-10,18-19,21H,2-8,11-17,20H2,1H3
InChIKeyIMPLJZCZFYXOAM-UHFFFAOYSA-N
MW380.56 g/mol
LogP8.38
Rot. Bonds17

About 2,4-difluoro-1-octadec-9-enoxybenzene

2,4-difluoro-1-octadec-9-enoxybenzene (PubChem CID 173351130) has the molecular formula C24H38F2O and a molecular weight of 380.56 g/mol. Its IUPAC name is 2,4-difluoro-1-octadec-9-enoxybenzene.

Molecular Properties

Compound Name2,4-difluoro-1-octadec-9-enoxybenzene
PubChem CID173351130
Molecular FormulaC24H38F2O
Molecular Weight380.56 g/mol
Exact Mass380.29
IUPAC Name2,4-difluoro-1-octadec-9-enoxybenzene
SMILESCCCCCCCCC=CCCCCCCCCOc1ccc(F)cc1F
InChIInChI=1S/C24H38F2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-24-19-18-22(25)21-23(24)26/h9-10,18-19,21H,2-8,11-17,20H2,1H3
InChIKeyIMPLJZCZFYXOAM-UHFFFAOYSA-N
XLogP8.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.56
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-difluoro-1-octadec-9-enoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-difluoro-2-hexoxybenzene
CID 23437312
2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene
CID 57117774
4-dodecoxy-3-fluoroaniline
CID 63404209
(5-fluoro-2-hexoxyphenyl)methanol
CID 91657337
trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide
CID 63703027
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
3,4-bis(octadec-9-enoxy)benzoic acid
CID 67144048
(5-fluoro-2-hexoxyphenyl)methylidenehydrazine
CID 168529261
2,5-bis[(9Z,12Z)-octadeca-9,12-dienoxy]benzaldehyde
CID 118916470
1-chloro-4-fluoro-2-octoxybenzene
CID 114264358
4-fluoro-2-octoxyaniline
CID 43128998
6-(2,4-difluorophenoxy)hexan-3-amine
CID 106800648

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-octadec-9-enoxybenzene?
The IUPAC name of 2,4-difluoro-1-octadec-9-enoxybenzene (CID 173351130) is 2,4-difluoro-1-octadec-9-enoxybenzene.
What is the SMILES notation for 2,4-difluoro-1-octadec-9-enoxybenzene?
The canonical SMILES for 2,4-difluoro-1-octadec-9-enoxybenzene is CCCCCCCCC=CCCCCCCCCOc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-1-octadec-9-enoxybenzene?
The InChIKey is IMPLJZCZFYXOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38F2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-24-19-18-22(25)21-23(24)26/h9-10,18-19,21H,2-8,11-17,20H2,1H3.
What are the key properties of 2,4-difluoro-1-octadec-9-enoxybenzene?
2,4-difluoro-1-octadec-9-enoxybenzene has a molecular weight of 380.56 g/mol, XLogP of 8.38, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-octadec-9-enoxybenzene is sourced from PubChem (CID 173351130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).