1-fluoro-4-propylbenzene

C9H11F — CID 2737505

IUPAC1-fluoro-4-propylbenzene
SMILESCCCc1ccc(F)cc1
InChIInChI=1S/C9H11F/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3
InChIKeyLUJGLFMPEZIRRP-UHFFFAOYSA-N
MW138.18 g/mol
LogP2.78
Rot. Bonds2

About 1-fluoro-4-propylbenzene

1-fluoro-4-propylbenzene (PubChem CID 2737505) has the molecular formula C9H11F and a molecular weight of 138.18 g/mol. Its IUPAC name is 1-fluoro-4-propylbenzene.

Molecular Properties

Compound Name1-fluoro-4-propylbenzene
PubChem CID2737505
Molecular FormulaC9H11F
Molecular Weight138.18 g/mol
Exact Mass138.08
IUPAC Name1-fluoro-4-propylbenzene
SMILESCCCc1ccc(F)cc1
InChIInChI=1S/C9H11F/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3
InChIKeyLUJGLFMPEZIRRP-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluoro-4-propylbenzene 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-fluoro-4-[4-(4-propylphenyl)buta-1,3-diynyl]benzene
CID 71345991
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
1-fluoro-4-propylbenzene;2-propylpentanoyl chloride
CID 142979821
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43094286
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 58997646
4-fluoro-2-(4-propylphenyl)aniline
CID 55110546
2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol
CID 82316019
N'-(4-fluorophenyl)-4-propylbenzohydrazide
CID 2812001
ethane;1-fluoro-4-[(2-propylphenyl)methyl]benzene
CID 171834345
3,4-difluoro-2,5-bis(4-propylphenyl)thiophene
CID 118390683

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-propylbenzene?
The IUPAC name of 1-fluoro-4-propylbenzene (CID 2737505) is 1-fluoro-4-propylbenzene.
What is the SMILES notation for 1-fluoro-4-propylbenzene?
The canonical SMILES for 1-fluoro-4-propylbenzene is CCCc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-propylbenzene?
The InChIKey is LUJGLFMPEZIRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3.
What are the key properties of 1-fluoro-4-propylbenzene?
1-fluoro-4-propylbenzene has a molecular weight of 138.18 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-propylbenzene is sourced from PubChem (CID 2737505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).