2-(4-butoxyphenyl)-1,3-difluorobenzene

C16H16F2O — CID 59931484

IUPAC2-(4-butoxyphenyl)-1,3-difluorobenzene
SMILESCCCCOc1ccc(-c2c(F)cccc2F)cc1
InChIInChI=1S/C16H16F2O/c1-2-3-11-19-13-9-7-12(8-10-13)16-14(17)5-4-6-15(16)18/h4-10H,2-3,11H2,1H3
InChIKeyYZMQAAVSANWQMV-UHFFFAOYSA-N
MW262.30 g/mol
LogP4.81
Rot. Bonds5

About 2-(4-butoxyphenyl)-1,3-difluorobenzene

2-(4-butoxyphenyl)-1,3-difluorobenzene (PubChem CID 59931484) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-1,3-difluorobenzene.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-1,3-difluorobenzene
PubChem CID59931484
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name2-(4-butoxyphenyl)-1,3-difluorobenzene
SMILESCCCCOc1ccc(-c2c(F)cccc2F)cc1
InChIInChI=1S/C16H16F2O/c1-2-3-11-19-13-9-7-12(8-10-13)16-14(17)5-4-6-15(16)18/h4-10H,2-3,11H2,1H3
InChIKeyYZMQAAVSANWQMV-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 54.81
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

1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1,3,4-trifluoro-2,5-bis(4-octoxyphenyl)benzene
CID 54492229
1-pentoxy-4-phenylbenzene
CID 7021155
4-[2-(4-butoxyphenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 19041140
4-(4-butoxyphenyl)-2-chloro-1-fluorobenzene
CID 69208522
1,4-dipentoxybenzene
CID 18314717
[4-(4-butoxyphenyl)phenyl]methanamine
CID 43366436
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-fluoro-1-[2-fluoro-4-(4-octoxyphenyl)phenoxy]-4-(4-octoxyphenyl)benzene
CID 56630470

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-1,3-difluorobenzene?
The IUPAC name of 2-(4-butoxyphenyl)-1,3-difluorobenzene (CID 59931484) is 2-(4-butoxyphenyl)-1,3-difluorobenzene.
What is the SMILES notation for 2-(4-butoxyphenyl)-1,3-difluorobenzene?
The canonical SMILES for 2-(4-butoxyphenyl)-1,3-difluorobenzene is CCCCOc1ccc(-c2c(F)cccc2F)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-1,3-difluorobenzene?
The InChIKey is YZMQAAVSANWQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-2-3-11-19-13-9-7-12(8-10-13)16-14(17)5-4-6-15(16)18/h4-10H,2-3,11H2,1H3.
What are the key properties of 2-(4-butoxyphenyl)-1,3-difluorobenzene?
2-(4-butoxyphenyl)-1,3-difluorobenzene has a molecular weight of 262.30 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-1,3-difluorobenzene is sourced from PubChem (CID 59931484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).