2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene

C18H20F2O — CID 57117774

IUPAC2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene
SMILESCCCCCCOc1ccc(-c2cccc(F)c2)cc1F
InChIInChI=1S/C18H20F2O/c1-2-3-4-5-11-21-18-10-9-15(13-17(18)20)14-7-6-8-16(19)12-14/h6-10,12-13H,2-5,11H2,1H3
InChIKeyVGDBEMUQRCCQAY-UHFFFAOYSA-N
MW290.35 g/mol
LogP5.59
Rot. Bonds7

About 2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene

2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene (PubChem CID 57117774) has the molecular formula C18H20F2O and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene.

Molecular Properties

Compound Name2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene
PubChem CID57117774
Molecular FormulaC18H20F2O
Molecular Weight290.35 g/mol
Exact Mass290.15
IUPAC Name2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene
SMILESCCCCCCOc1ccc(-c2cccc(F)c2)cc1F
InChIInChI=1S/C18H20F2O/c1-2-3-4-5-11-21-18-10-9-15(13-17(18)20)14-7-6-8-16(19)12-14/h6-10,12-13H,2-5,11H2,1H3
InChIKeyVGDBEMUQRCCQAY-UHFFFAOYSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.35
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene
CID 19430958
2-fluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene
CID 101490841
2-fluoro-1-[2-fluoro-4-(4-octoxyphenyl)phenoxy]-4-(4-octoxyphenyl)benzene
CID 56630470
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 23391143
4-(3-fluoro-4-heptoxyphenyl)benzoic acid
CID 54109245
4-(3-fluoro-4-hexoxyphenyl)benzoic acid
CID 54340941
[2-fluoro-4-(3-fluoro-4-octoxyphenyl)phenyl] propanoate
CID 54154987
2,4-difluoro-1-octadec-9-enoxybenzene
CID 173351130
2-fluoro-4-[2-(3-fluoro-4-heptylphenyl)phenyl]-1-octoxybenzene
CID 161025706
4-(3,4-dihexoxyphenyl)-1,2-dihexoxybenzene
CID 14937397
4-dodecoxy-3-fluoroaniline
CID 63404209

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene?
The IUPAC name of 2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene (CID 57117774) is 2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene.
What is the SMILES notation for 2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene?
The canonical SMILES for 2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene is CCCCCCOc1ccc(-c2cccc(F)c2)cc1F.
What is the InChIKey of 2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene?
The InChIKey is VGDBEMUQRCCQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2O/c1-2-3-4-5-11-21-18-10-9-15(13-17(18)20)14-7-6-8-16(19)12-14/h6-10,12-13H,2-5,11H2,1H3.
What are the key properties of 2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene?
2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene has a molecular weight of 290.35 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene is sourced from PubChem (CID 57117774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).