1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane

C20H27F3O — CID 174924769

IUPAC1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane
SMILESCCCCCCc1ccccc1F.COC.Fc1cccc(F)c1
InChIInChI=1S/C12H17F.C6H4F2.C2H6O/c1-2-3-4-5-8-11-9-6-7-10-12(11)13;7-5-2-1-3-6(8)4-5;1-3-2/h6-7,9-10H,2-5,8H2,1H3;1-4H;1-2H3
InChIKeyFKFCWXGHTVNJTG-UHFFFAOYSA-N
MW340.43 g/mol
LogP6.18
Rot. Bonds5

About 1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane

1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane (PubChem CID 174924769) has the molecular formula C20H27F3O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane.

Molecular Properties

Compound Name1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane
PubChem CID174924769
Molecular FormulaC20H27F3O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane
SMILESCCCCCCc1ccccc1F.COC.Fc1cccc(F)c1
InChIInChI=1S/C12H17F.C6H4F2.C2H6O/c1-2-3-4-5-8-11-9-6-7-10-12(11)13;7-5-2-1-3-6(8)4-5;1-3-2/h6-7,9-10H,2-5,8H2,1H3;1-4H;1-2H3
InChIKeyFKFCWXGHTVNJTG-UHFFFAOYSA-N
XLogP6.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 56.18
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-fluoro-2-heptylbenzene
CID 20721019
1-fluoro-2,3-dioctylbenzene
CID 67729666
2,4-difluoro-1-pentylbenzene
CID 20770613
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
1,2-dibutyl-3-dodecylbenzene
CID 91050964
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1-fluoro-2-(2-pentoxyethyl)benzene
CID 91695654
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104

Frequently Asked Questions

What is the IUPAC name of 1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane?
The IUPAC name of 1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane (CID 174924769) is 1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane.
What is the SMILES notation for 1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane?
The canonical SMILES for 1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane is CCCCCCc1ccccc1F.COC.Fc1cccc(F)c1.
What is the InChIKey of 1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane?
The InChIKey is FKFCWXGHTVNJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F.C6H4F2.C2H6O/c1-2-3-4-5-8-11-9-6-7-10-12(11)13;7-5-2-1-3-6(8)4-5;1-3-2/h6-7,9-10H,2-5,8H2,1H3;1-4H;1-2H3.
What are the key properties of 1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane?
1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane has a molecular weight of 340.43 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane is sourced from PubChem (CID 174924769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).