1-[5-chloro-1-(4-fluorophenyl)pentan-2-yl]-4-fluorobenzene

C17H17ClF2 — CID 19857181

IUPAC1-[5-chloro-1-(4-fluorophenyl)pentan-2-yl]-4-fluorobenzene
SMILESFc1ccc(CC(CCCCl)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17ClF2/c18-11-1-2-15(14-5-9-17(20)10-6-14)12-13-3-7-16(19)8-4-13/h3-10,15H,1-2,11-12H2
InChIKeyPEHRTLWBRXDXPV-UHFFFAOYSA-N
MW294.77 g/mol
LogP5.31
Rot. Bonds6

About 1-[5-chloro-1-(4-fluorophenyl)pentan-2-yl]-4-fluorobenzene

1-[5-chloro-1-(4-fluorophenyl)pentan-2-yl]-4-fluorobenzene (PubChem CID 19857181) has the molecular formula C17H17ClF2 and a molecular weight of 294.77 g/mol. Its IUPAC name is 1-[5-chloro-1-(4-fluorophenyl)pentan-2-yl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[5-chloro-1-(4-fluorophenyl)pentan-2-yl]-4-fluorobenzene
PubChem CID19857181
Molecular FormulaC17H17ClF2
Molecular Weight294.77 g/mol
Exact Mass294.10
IUPAC Name1-[5-chloro-1-(4-fluorophenyl)pentan-2-yl]-4-fluorobenzene
SMILESFc1ccc(CC(CCCCl)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17ClF2/c18-11-1-2-15(14-5-9-17(20)10-6-14)12-13-3-7-16(19)8-4-13/h3-10,15H,1-2,11-12H2
InChIKeyPEHRTLWBRXDXPV-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.77
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-1-(4-fluorophenyl)pentan-2-yl]-4-fluorobenzene?
The IUPAC name of 1-[5-chloro-1-(4-fluorophenyl)pentan-2-yl]-4-fluorobenzene (CID 19857181) is 1-[5-chloro-1-(4-fluorophenyl)pentan-2-yl]-4-fluorobenzene.
What is the SMILES notation for 1-[5-chloro-1-(4-fluorophenyl)pentan-2-yl]-4-fluorobenzene?
The canonical SMILES for 1-[5-chloro-1-(4-fluorophenyl)pentan-2-yl]-4-fluorobenzene is Fc1ccc(CC(CCCCl)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[5-chloro-1-(4-fluorophenyl)pentan-2-yl]-4-fluorobenzene?
The InChIKey is PEHRTLWBRXDXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2/c18-11-1-2-15(14-5-9-17(20)10-6-14)12-13-3-7-16(19)8-4-13/h3-10,15H,1-2,11-12H2.
What are the key properties of 1-[5-chloro-1-(4-fluorophenyl)pentan-2-yl]-4-fluorobenzene?
1-[5-chloro-1-(4-fluorophenyl)pentan-2-yl]-4-fluorobenzene has a molecular weight of 294.77 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-1-(4-fluorophenyl)pentan-2-yl]-4-fluorobenzene is sourced from PubChem (CID 19857181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).