1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene

C24H30F4 — CID 139298385

IUPAC1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene
SMILESCC(C)c1cc(F)c(C(C)CCC(C)c2cc(F)c(C(C)C)cc2F)c(F)c1
InChIInChI=1S/C24H30F4/c1-13(2)17-9-22(27)24(23(28)10-17)16(6)8-7-15(5)19-12-20(25)18(14(3)4)11-21(19)26/h9-16H,7-8H2,1-6H3
InChIKeyBHFVJWPEYUYREV-UHFFFAOYSA-N
MW394.50 g/mol
LogP8.18
Rot. Bonds7

About 1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene

1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene (PubChem CID 139298385) has the molecular formula C24H30F4 and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene
PubChem CID139298385
Molecular FormulaC24H30F4
Molecular Weight394.50 g/mol
Exact Mass394.23
IUPAC Name1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene
SMILESCC(C)c1cc(F)c(C(C)CCC(C)c2cc(F)c(C(C)C)cc2F)c(F)c1
InChIInChI=1S/C24H30F4/c1-13(2)17-9-22(27)24(23(28)10-17)16(6)8-7-15(5)19-12-20(25)18(14(3)4)11-21(19)26/h9-16H,7-8H2,1-6H3
InChIKeyBHFVJWPEYUYREV-UHFFFAOYSA-N
XLogP8.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene with MolForge

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Related Compounds

1,4-difluoro-2-propan-2-yl-5-[5-(4-propan-2-ylphenyl)hexan-2-yl]benzene
CID 138643141
1-chloro-2-[5-(2-chloro-4-propan-2-ylphenyl)hexan-2-yl]-4-fluoro-5-propan-2-ylbenzene
CID 155383409
1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene
CID 157344584
3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine
CID 117327295
3-(4-fluoro-2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117320871
1-bromo-2,5-difluoro-4-propan-2-ylbenzene
CID 58333577
3-(2,4-difluoro-5-propan-2-ylphenyl)butanal
CID 117325497
4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene
CID 139295380
1-(2,3-difluoro-5-propan-2-ylphenyl)ethanamine
CID 117288734
1-(bromomethyl)-2,4-difluoro-5-propan-2-ylbenzene
CID 152963520
1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 169242567
(1S)-1-(3-fluoro-4-propan-2-ylphenyl)ethanol
CID 171600588

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene?
The IUPAC name of 1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene (CID 139298385) is 1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene?
The canonical SMILES for 1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene is CC(C)c1cc(F)c(C(C)CCC(C)c2cc(F)c(C(C)C)cc2F)c(F)c1.
What is the InChIKey of 1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene?
The InChIKey is BHFVJWPEYUYREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F4/c1-13(2)17-9-22(27)24(23(28)10-17)16(6)8-7-15(5)19-12-20(25)18(14(3)4)11-21(19)26/h9-16H,7-8H2,1-6H3.
What are the key properties of 1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene?
1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene has a molecular weight of 394.50 g/mol, XLogP of 8.18, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-difluoro-4-propan-2-ylphenyl)hexan-2-yl]-2,5-difluoro-4-propan-2-ylbenzene is sourced from PubChem (CID 139298385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).