1-(4-fluorononan-2-yl)-4-(4-propylphenyl)benzene

C24H33F — CID 173386204

IUPAC1-(4-fluorononan-2-yl)-4-(4-propylphenyl)benzene
SMILESCCCCCC(F)CC(C)c1ccc(-c2ccc(CCC)cc2)cc1
InChIInChI=1S/C24H33F/c1-4-6-7-9-24(25)18-19(3)21-14-16-23(17-15-21)22-12-10-20(8-5-2)11-13-22/h10-17,19,24H,4-9,18H2,1-3H3
InChIKeyGQBBWZRFKWAILD-UHFFFAOYSA-N
MW340.53 g/mol
LogP7.72
Rot. Bonds10

About 1-(4-fluorononan-2-yl)-4-(4-propylphenyl)benzene

1-(4-fluorononan-2-yl)-4-(4-propylphenyl)benzene (PubChem CID 173386204) has the molecular formula C24H33F and a molecular weight of 340.53 g/mol. Its IUPAC name is 1-(4-fluorononan-2-yl)-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-(4-fluorononan-2-yl)-4-(4-propylphenyl)benzene
PubChem CID173386204
Molecular FormulaC24H33F
Molecular Weight340.53 g/mol
Exact Mass340.26
IUPAC Name1-(4-fluorononan-2-yl)-4-(4-propylphenyl)benzene
SMILESCCCCCC(F)CC(C)c1ccc(-c2ccc(CCC)cc2)cc1
InChIInChI=1S/C24H33F/c1-4-6-7-9-24(25)18-19(3)21-14-16-23(17-15-21)22-12-10-20(8-5-2)11-13-22/h10-17,19,24H,4-9,18H2,1-3H3
InChIKeyGQBBWZRFKWAILD-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.53
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorononan-2-yl)-4-(4-pentylphenyl)benzene
CID 173386186
(4-propylphenyl) 4-(4-heptan-2-ylphenyl)benzoate
CID 22089464
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene
CID 176687461
5-(4-propylphenyl)hexane-2,3-diol
CID 83921595
1-(1-bromoheptyl)-4-propylbenzene
CID 114753586
1-[4-(4-pentylphenyl)phenyl]ethanol
CID 14297725
1-(1-chloroheptyl)-4-propylbenzene
CID 114753506
1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane
CID 161273010
1,3-difluoro-5-propyl-2-[1-[4-(4-propylphenyl)phenyl]ethyl]benzene
CID 123597493
4-octan-2-ylphenol;4-octylphenol
CID 157081049

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorononan-2-yl)-4-(4-propylphenyl)benzene?
The IUPAC name of 1-(4-fluorononan-2-yl)-4-(4-propylphenyl)benzene (CID 173386204) is 1-(4-fluorononan-2-yl)-4-(4-propylphenyl)benzene.
What is the SMILES notation for 1-(4-fluorononan-2-yl)-4-(4-propylphenyl)benzene?
The canonical SMILES for 1-(4-fluorononan-2-yl)-4-(4-propylphenyl)benzene is CCCCCC(F)CC(C)c1ccc(-c2ccc(CCC)cc2)cc1.
What is the InChIKey of 1-(4-fluorononan-2-yl)-4-(4-propylphenyl)benzene?
The InChIKey is GQBBWZRFKWAILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F/c1-4-6-7-9-24(25)18-19(3)21-14-16-23(17-15-21)22-12-10-20(8-5-2)11-13-22/h10-17,19,24H,4-9,18H2,1-3H3.
What are the key properties of 1-(4-fluorononan-2-yl)-4-(4-propylphenyl)benzene?
1-(4-fluorononan-2-yl)-4-(4-propylphenyl)benzene has a molecular weight of 340.53 g/mol, XLogP of 7.72, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorononan-2-yl)-4-(4-propylphenyl)benzene is sourced from PubChem (CID 173386204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).