1,4-difluoro-2-hexoxybenzene

C12H16F2O — CID 23437312

IUPAC1,4-difluoro-2-hexoxybenzene
SMILESCCCCCCOc1cc(F)ccc1F
InChIInChI=1S/C12H16F2O/c1-2-3-4-5-8-15-12-9-10(13)6-7-11(12)14/h6-7,9H,2-5,8H2,1H3
InChIKeyKTXMVQUTSOZOBY-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.92
Rot. Bonds6

About 1,4-difluoro-2-hexoxybenzene

1,4-difluoro-2-hexoxybenzene (PubChem CID 23437312) has the molecular formula C12H16F2O and a molecular weight of 214.26 g/mol. Its IUPAC name is 1,4-difluoro-2-hexoxybenzene.

Molecular Properties

Compound Name1,4-difluoro-2-hexoxybenzene
PubChem CID23437312
Molecular FormulaC12H16F2O
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name1,4-difluoro-2-hexoxybenzene
SMILESCCCCCCOc1cc(F)ccc1F
InChIInChI=1S/C12H16F2O/c1-2-3-4-5-8-15-12-9-10(13)6-7-11(12)14/h6-7,9H,2-5,8H2,1H3
InChIKeyKTXMVQUTSOZOBY-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.92
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-chloro-4-fluoro-2-octoxybenzene
CID 114264358
4-fluoro-2-octoxyaniline
CID 43128998
6-(2,5-difluorophenoxy)hexan-1-ol
CID 103867914
5-(2,5-difluorophenoxy)-N-methylpentan-1-amine
CID 63273148
2,4-difluoro-1-octadec-9-enoxybenzene
CID 173351130
(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
CID 63486431
(5-fluoro-2-hexoxyphenyl)methanol
CID 91657337
trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide
CID 63703027
6-(2,5-difluorophenoxy)hexan-3-ol
CID 106802707
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine
CID 63485682
1-dodecoxy-2,3-difluorobenzene
CID 15854521

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-hexoxybenzene?
The IUPAC name of 1,4-difluoro-2-hexoxybenzene (CID 23437312) is 1,4-difluoro-2-hexoxybenzene.
What is the SMILES notation for 1,4-difluoro-2-hexoxybenzene?
The canonical SMILES for 1,4-difluoro-2-hexoxybenzene is CCCCCCOc1cc(F)ccc1F.
What is the InChIKey of 1,4-difluoro-2-hexoxybenzene?
The InChIKey is KTXMVQUTSOZOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-2-3-4-5-8-15-12-9-10(13)6-7-11(12)14/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 1,4-difluoro-2-hexoxybenzene?
1,4-difluoro-2-hexoxybenzene has a molecular weight of 214.26 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-hexoxybenzene is sourced from PubChem (CID 23437312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).