1-(2-ethylhexyl)-2,4-difluorobenzene;titanium

C14H20F2Ti — CID 174433926

IUPAC1-(2-ethylhexyl)-2,4-difluorobenzene;titanium
SMILESCCCCC(CC)Cc1ccc(F)cc1F.[Ti]
InChIInChI=1S/C14H20F2.Ti/c1-3-5-6-11(4-2)9-12-7-8-13(15)10-14(12)16;/h7-8,10-11H,3-6,9H2,1-2H3;
InChIKeyXEURGBUYSOHPSO-UHFFFAOYSA-N
MW274.18 g/mol
LogP4.72
Rot. Bonds6

About 1-(2-ethylhexyl)-2,4-difluorobenzene;titanium

1-(2-ethylhexyl)-2,4-difluorobenzene;titanium (PubChem CID 174433926) has the molecular formula C14H20F2Ti and a molecular weight of 274.18 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-2,4-difluorobenzene;titanium.

Molecular Properties

Compound Name1-(2-ethylhexyl)-2,4-difluorobenzene;titanium
PubChem CID174433926
Molecular FormulaC14H20F2Ti
Molecular Weight274.18 g/mol
Exact Mass274.10
IUPAC Name1-(2-ethylhexyl)-2,4-difluorobenzene;titanium
SMILESCCCCC(CC)Cc1ccc(F)cc1F.[Ti]
InChIInChI=1S/C14H20F2.Ti/c1-3-5-6-11(4-2)9-12-7-8-13(15)10-14(12)16;/h7-8,10-11H,3-6,9H2,1-2H3;
InChIKeyXEURGBUYSOHPSO-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,4-difluorophenyl)-4-ethyloctan-2-one
CID 64558686
2-[(2,4-difluorophenyl)methyl]pentan-1-amine
CID 62505725
1-(2,4-difluorophenyl)hexan-2-ylhydrazine
CID 105223048
1-(2,4-difluorophenyl)nonan-2-ol
CID 63902016
1-(2,4-difluorophenyl)decan-2-ol
CID 64559073
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
2-[(2,4-difluorophenyl)methyl]-N-ethylpentan-1-amine
CID 62528521
1-(2,4-difluorophenyl)-N-methylundecan-2-amine
CID 64560625
2,4-difluoro-1-pentylbenzene
CID 20770613
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine
CID 43103346
4-(2-ethylhexyl)benzene-1,2,3-triol
CID 58275156

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-2,4-difluorobenzene;titanium?
The IUPAC name of 1-(2-ethylhexyl)-2,4-difluorobenzene;titanium (CID 174433926) is 1-(2-ethylhexyl)-2,4-difluorobenzene;titanium.
What is the SMILES notation for 1-(2-ethylhexyl)-2,4-difluorobenzene;titanium?
The canonical SMILES for 1-(2-ethylhexyl)-2,4-difluorobenzene;titanium is CCCCC(CC)Cc1ccc(F)cc1F.[Ti].
What is the InChIKey of 1-(2-ethylhexyl)-2,4-difluorobenzene;titanium?
The InChIKey is XEURGBUYSOHPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2.Ti/c1-3-5-6-11(4-2)9-12-7-8-13(15)10-14(12)16;/h7-8,10-11H,3-6,9H2,1-2H3;.
What are the key properties of 1-(2-ethylhexyl)-2,4-difluorobenzene;titanium?
1-(2-ethylhexyl)-2,4-difluorobenzene;titanium has a molecular weight of 274.18 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-2,4-difluorobenzene;titanium is sourced from PubChem (CID 174433926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).