1-(1,4-diphenylbutan-2-yl)-2-fluorobenzene

C22H21F — CID 173233080

IUPAC1-(1,4-diphenylbutan-2-yl)-2-fluorobenzene
SMILESFc1ccccc1C(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H21F/c23-22-14-8-7-13-21(22)20(17-19-11-5-2-6-12-19)16-15-18-9-3-1-4-10-18/h1-14,20H,15-17H2
InChIKeyYWQCNAVRBJAEEW-UHFFFAOYSA-N
MW304.41 g/mol
LogP5.78
Rot. Bonds6

About 1-(1,4-diphenylbutan-2-yl)-2-fluorobenzene

1-(1,4-diphenylbutan-2-yl)-2-fluorobenzene (PubChem CID 173233080) has the molecular formula C22H21F and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-(1,4-diphenylbutan-2-yl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(1,4-diphenylbutan-2-yl)-2-fluorobenzene
PubChem CID173233080
Molecular FormulaC22H21F
Molecular Weight304.41 g/mol
Exact Mass304.16
IUPAC Name1-(1,4-diphenylbutan-2-yl)-2-fluorobenzene
SMILESFc1ccccc1C(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H21F/c23-22-14-8-7-13-21(22)20(17-19-11-5-2-6-12-19)16-15-18-9-3-1-4-10-18/h1-14,20H,15-17H2
InChIKeyYWQCNAVRBJAEEW-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.41
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-fluorophenyl)-3-phenylpropan-1-ol
CID 62502803
1-(1-chloro-5-phenylpentan-2-yl)-2-fluorobenzene
CID 79454225
N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine
CID 79438873
1-amino-2-(2-fluorophenyl)-5-phenylpentan-3-ol
CID 65185569
1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine
CID 54088425
1-(1,3-dibromopropan-2-yl)-2-fluorobenzene
CID 79456002
1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene
CID 159042556
[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-[(2R)-4-phenylbutan-2-yl]azanium;4-methylbenzenesulfonate
CID 88783626
1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene
CID 79454615
3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine
CID 79448953
1,4-diphenylbutan-2-amine
CID 60820174
3-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 79434390

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diphenylbutan-2-yl)-2-fluorobenzene?
The IUPAC name of 1-(1,4-diphenylbutan-2-yl)-2-fluorobenzene (CID 173233080) is 1-(1,4-diphenylbutan-2-yl)-2-fluorobenzene.
What is the SMILES notation for 1-(1,4-diphenylbutan-2-yl)-2-fluorobenzene?
The canonical SMILES for 1-(1,4-diphenylbutan-2-yl)-2-fluorobenzene is Fc1ccccc1C(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-(1,4-diphenylbutan-2-yl)-2-fluorobenzene?
The InChIKey is YWQCNAVRBJAEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F/c23-22-14-8-7-13-21(22)20(17-19-11-5-2-6-12-19)16-15-18-9-3-1-4-10-18/h1-14,20H,15-17H2.
What are the key properties of 1-(1,4-diphenylbutan-2-yl)-2-fluorobenzene?
1-(1,4-diphenylbutan-2-yl)-2-fluorobenzene has a molecular weight of 304.41 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diphenylbutan-2-yl)-2-fluorobenzene is sourced from PubChem (CID 173233080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).