1-(5-chloropentyl)-4-fluorobenzene

C11H14ClF — CID 57030730

IUPAC1-(5-chloropentyl)-4-fluorobenzene
SMILESFc1ccc(CCCCCCl)cc1
InChIInChI=1S/C11H14ClF/c12-9-3-1-2-4-10-5-7-11(13)8-6-10/h5-8H,1-4,9H2
InChIKeyXGBZQGRTFYUNIH-UHFFFAOYSA-N
MW200.68 g/mol
LogP3.78
Rot. Bonds5

About 1-(5-chloropentyl)-4-fluorobenzene

1-(5-chloropentyl)-4-fluorobenzene (PubChem CID 57030730) has the molecular formula C11H14ClF and a molecular weight of 200.68 g/mol. Its IUPAC name is 1-(5-chloropentyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(5-chloropentyl)-4-fluorobenzene
PubChem CID57030730
Molecular FormulaC11H14ClF
Molecular Weight200.68 g/mol
Exact Mass200.08
IUPAC Name1-(5-chloropentyl)-4-fluorobenzene
SMILESFc1ccc(CCCCCCl)cc1
InChIInChI=1S/C11H14ClF/c12-9-3-1-2-4-10-5-7-11(13)8-6-10/h5-8H,1-4,9H2
InChIKeyXGBZQGRTFYUNIH-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.68
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-(4-fluorophenyl)hexan-1-amine
CID 18470415
1-(5-chloropentyl)-4-[4-(5-chloropentyl)phenyl]sulfanylbenzene
CID 57101614
1-fluoro-4-[5-[5-(4-fluorophenyl)pentylsulfanyl]pentyl]benzene
CID 164522960
1-(6-chlorohexyl)-4-methylbenzene;ethane
CID 144525982
1-(4-chlorobutyl)-4-[4-(4-chlorobutyl)phenyl]sulfanylbenzene
CID 57267102
1-fluoro-4-non-8-enylbenzene
CID 57222789
6-(4-fluorophenyl)hexanoic acid
CID 14739735
11-(4-fluorophenyl)undecanamide
CID 144640590
4-chlorobutylbenzene;ethane
CID 142108519
1,3,5-tris(4-chlorobutyl)benzene
CID 134887836
N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine
CID 65308639
6-(4-fluorophenyl)-N-propylhexan-1-amine
CID 65308488

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentyl)-4-fluorobenzene?
The IUPAC name of 1-(5-chloropentyl)-4-fluorobenzene (CID 57030730) is 1-(5-chloropentyl)-4-fluorobenzene.
What is the SMILES notation for 1-(5-chloropentyl)-4-fluorobenzene?
The canonical SMILES for 1-(5-chloropentyl)-4-fluorobenzene is Fc1ccc(CCCCCCl)cc1.
What is the InChIKey of 1-(5-chloropentyl)-4-fluorobenzene?
The InChIKey is XGBZQGRTFYUNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF/c12-9-3-1-2-4-10-5-7-11(13)8-6-10/h5-8H,1-4,9H2.
What are the key properties of 1-(5-chloropentyl)-4-fluorobenzene?
1-(5-chloropentyl)-4-fluorobenzene has a molecular weight of 200.68 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentyl)-4-fluorobenzene is sourced from PubChem (CID 57030730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).