1-(1-chloro-5-phenylpentan-2-yl)-2-fluorobenzene

C17H18ClF — CID 79454225

IUPAC1-(1-chloro-5-phenylpentan-2-yl)-2-fluorobenzene
SMILESFc1ccccc1C(CCl)CCCc1ccccc1
InChIInChI=1S/C17H18ClF/c18-13-15(16-11-4-5-12-17(16)19)10-6-9-14-7-2-1-3-8-14/h1-5,7-8,11-12,15H,6,9-10,13H2
InChIKeyLEVAKJASUAVCCV-UHFFFAOYSA-N
MW276.78 g/mol
LogP5.17
Rot. Bonds6

About 1-(1-chloro-5-phenylpentan-2-yl)-2-fluorobenzene

1-(1-chloro-5-phenylpentan-2-yl)-2-fluorobenzene (PubChem CID 79454225) has the molecular formula C17H18ClF and a molecular weight of 276.78 g/mol. Its IUPAC name is 1-(1-chloro-5-phenylpentan-2-yl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(1-chloro-5-phenylpentan-2-yl)-2-fluorobenzene
PubChem CID79454225
Molecular FormulaC17H18ClF
Molecular Weight276.78 g/mol
Exact Mass276.11
IUPAC Name1-(1-chloro-5-phenylpentan-2-yl)-2-fluorobenzene
SMILESFc1ccccc1C(CCl)CCCc1ccccc1
InChIInChI=1S/C17H18ClF/c18-13-15(16-11-4-5-12-17(16)19)10-6-9-14-7-2-1-3-8-14/h1-5,7-8,11-12,15H,6,9-10,13H2
InChIKeyLEVAKJASUAVCCV-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.78
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4-diphenylbutan-2-yl)-2-fluorobenzene
CID 173233080
1-(1-chloro-5-methylsulfonylpentan-2-yl)-2-fluorobenzene
CID 79454995
2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene
CID 79455066
1-(1-chloro-4-methylsulfonylbutan-2-yl)-2-fluorobenzene
CID 79454374
1-(2-fluorophenyl)-3-phenylpropan-1-ol
CID 62502803
1-(1-chloro-4-methylhexan-2-yl)-2-fluorobenzene
CID 79454381
1-(2-fluorophenyl)-4-phenyl-N-propylbutan-1-amine
CID 63417879
1-[1-chloro-4-[2-(2-methoxyethoxy)ethoxy]butan-2-yl]-2-fluorobenzene
CID 104568771
1-[4-chloro-3-(2-fluorophenyl)butoxy]-4-methoxybenzene
CID 79438142
[1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine
CID 105279983
(1S)-2-chloro-1-(2-fluorophenyl)ethanol
CID 83001661
1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol
CID 115791241

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-5-phenylpentan-2-yl)-2-fluorobenzene?
The IUPAC name of 1-(1-chloro-5-phenylpentan-2-yl)-2-fluorobenzene (CID 79454225) is 1-(1-chloro-5-phenylpentan-2-yl)-2-fluorobenzene.
What is the SMILES notation for 1-(1-chloro-5-phenylpentan-2-yl)-2-fluorobenzene?
The canonical SMILES for 1-(1-chloro-5-phenylpentan-2-yl)-2-fluorobenzene is Fc1ccccc1C(CCl)CCCc1ccccc1.
What is the InChIKey of 1-(1-chloro-5-phenylpentan-2-yl)-2-fluorobenzene?
The InChIKey is LEVAKJASUAVCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF/c18-13-15(16-11-4-5-12-17(16)19)10-6-9-14-7-2-1-3-8-14/h1-5,7-8,11-12,15H,6,9-10,13H2.
What are the key properties of 1-(1-chloro-5-phenylpentan-2-yl)-2-fluorobenzene?
1-(1-chloro-5-phenylpentan-2-yl)-2-fluorobenzene has a molecular weight of 276.78 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-5-phenylpentan-2-yl)-2-fluorobenzene is sourced from PubChem (CID 79454225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).