1,2-difluoro-3-(2-propylhexyl)benzene

C15H22F2 — CID 134378783

IUPAC1,2-difluoro-3-(2-propylhexyl)benzene
SMILESCCCCC(CCC)Cc1cccc(F)c1F
InChIInChI=1S/C15H22F2/c1-3-5-8-12(7-4-2)11-13-9-6-10-14(16)15(13)17/h6,9-10,12H,3-5,7-8,11H2,1-2H3
InChIKeyWZZOBTWQDRWFCH-UHFFFAOYSA-N
MW240.34 g/mol
LogP5.11
Rot. Bonds7

About 1,2-difluoro-3-(2-propylhexyl)benzene

1,2-difluoro-3-(2-propylhexyl)benzene (PubChem CID 134378783) has the molecular formula C15H22F2 and a molecular weight of 240.34 g/mol. Its IUPAC name is 1,2-difluoro-3-(2-propylhexyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-3-(2-propylhexyl)benzene
PubChem CID134378783
Molecular FormulaC15H22F2
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name1,2-difluoro-3-(2-propylhexyl)benzene
SMILESCCCCC(CCC)Cc1cccc(F)c1F
InChIInChI=1S/C15H22F2/c1-3-5-8-12(7-4-2)11-13-9-6-10-14(16)15(13)17/h6,9-10,12H,3-5,7-8,11H2,1-2H3
InChIKeyWZZOBTWQDRWFCH-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.34
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,3-difluorophenyl)pentan-2-amine
CID 62601447
1-(2,3-difluorophenyl)dodecan-2-ol
CID 115789113
1-[2-(chloromethyl)butyl]-2,3-difluorobenzene
CID 66036130
[1-(2,3-difluorophenyl)-4-methylheptan-2-yl]hydrazine
CID 105298128
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
2-(2-hexyl-5-propylundecyl)benzenethiol
CID 173386927
N-(2-ethylhexyl)-2,3-difluoroaniline
CID 63490651
1,2-difluoro-3-methyl-5-(2-propylhexyl)benzene
CID 70261877
[1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271512
2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 62516240
3-(2,3-difluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62528277

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(2-propylhexyl)benzene?
The IUPAC name of 1,2-difluoro-3-(2-propylhexyl)benzene (CID 134378783) is 1,2-difluoro-3-(2-propylhexyl)benzene.
What is the SMILES notation for 1,2-difluoro-3-(2-propylhexyl)benzene?
The canonical SMILES for 1,2-difluoro-3-(2-propylhexyl)benzene is CCCCC(CCC)Cc1cccc(F)c1F.
What is the InChIKey of 1,2-difluoro-3-(2-propylhexyl)benzene?
The InChIKey is WZZOBTWQDRWFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2/c1-3-5-8-12(7-4-2)11-13-9-6-10-14(16)15(13)17/h6,9-10,12H,3-5,7-8,11H2,1-2H3.
What are the key properties of 1,2-difluoro-3-(2-propylhexyl)benzene?
1,2-difluoro-3-(2-propylhexyl)benzene has a molecular weight of 240.34 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(2-propylhexyl)benzene is sourced from PubChem (CID 134378783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).