1-(5-fluoropentyl)-4-methylbenzene

C12H17F — CID 172812127

IUPAC1-(5-fluoropentyl)-4-methylbenzene
SMILESCc1ccc(CCCCCF)cc1
InChIInChI=1S/C12H17F/c1-11-6-8-12(9-7-11)5-3-2-4-10-13/h6-9H,2-5,10H2,1H3
InChIKeySHZABHICTIBVMC-UHFFFAOYSA-N
MW180.27 g/mol
LogP3.68
Rot. Bonds5

About 1-(5-fluoropentyl)-4-methylbenzene

1-(5-fluoropentyl)-4-methylbenzene (PubChem CID 172812127) has the molecular formula C12H17F and a molecular weight of 180.27 g/mol. Its IUPAC name is 1-(5-fluoropentyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(5-fluoropentyl)-4-methylbenzene
PubChem CID172812127
Molecular FormulaC12H17F
Molecular Weight180.27 g/mol
Exact Mass180.13
IUPAC Name1-(5-fluoropentyl)-4-methylbenzene
SMILESCc1ccc(CCCCCF)cc1
InChIInChI=1S/C12H17F/c1-11-6-8-12(9-7-11)5-3-2-4-10-13/h6-9H,2-5,10H2,1H3
InChIKeySHZABHICTIBVMC-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 53.68
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-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
1,3-difluoro-5-[4-(7-fluoroheptyl)phenyl]-2-(4-methylphenyl)benzene
CID 20663476
1-methyl-4-octylbenzene
CID 11052746
1-(5-fluoropentyl)-4-phenylbenzene
CID 20663493
difluoro-[3-(4-methylphenyl)propyl]silane
CID 123561628
1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene
CID 141394605
1-(6-chlorohexyl)-4-methylbenzene;ethane
CID 144525982
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
CID 70388398
CID 70388398
2-[4-(5-fluoropentyl)phenyl]-5-methyl-1,3,4-oxadiazole
CID 70775236
N,N-dimethyl-5-(4-methylphenyl)pentan-1-amine;hydrate
CID 173447958
1-hexyl-4-methylbenzene;toluene
CID 173071388

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropentyl)-4-methylbenzene?
The IUPAC name of 1-(5-fluoropentyl)-4-methylbenzene (CID 172812127) is 1-(5-fluoropentyl)-4-methylbenzene.
What is the SMILES notation for 1-(5-fluoropentyl)-4-methylbenzene?
The canonical SMILES for 1-(5-fluoropentyl)-4-methylbenzene is Cc1ccc(CCCCCF)cc1.
What is the InChIKey of 1-(5-fluoropentyl)-4-methylbenzene?
The InChIKey is SHZABHICTIBVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F/c1-11-6-8-12(9-7-11)5-3-2-4-10-13/h6-9H,2-5,10H2,1H3.
What are the key properties of 1-(5-fluoropentyl)-4-methylbenzene?
1-(5-fluoropentyl)-4-methylbenzene has a molecular weight of 180.27 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropentyl)-4-methylbenzene is sourced from PubChem (CID 172812127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).