1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene

C18H20F4 — CID 169242567

IUPAC1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
SMILESCC(C)c1cc(F)ccc1F.CC(C)c1ccc(F)c(F)c1
InChIInChI=1S/2C9H10F2/c1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7/h2*3-6H,1-2H3
InChIKeyLXTJKCSWFUAZRR-UHFFFAOYSA-N
MW312.35 g/mol
LogP6.18
Rot. Bonds2

About 1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene

1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene (PubChem CID 169242567) has the molecular formula C18H20F4 and a molecular weight of 312.35 g/mol. Its IUPAC name is 1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
PubChem CID169242567
Molecular FormulaC18H20F4
Molecular Weight312.35 g/mol
Exact Mass312.15
IUPAC Name1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
SMILESCC(C)c1cc(F)ccc1F.CC(C)c1ccc(F)c(F)c1
InChIInChI=1S/2C9H10F2/c1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7/h2*3-6H,1-2H3
InChIKeyLXTJKCSWFUAZRR-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.35
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 157456603
1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane
CID 157271017
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 160709728
1-(2,5-difluorophenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43482905
2-chloro-4-fluoro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 142425604
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
2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene
CID 63431490
2-(1-chloroethyl)-1,4-difluorobenzene
CID 43114942
1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 142619268
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
1-(2-fluoro-4-propan-2-ylphenyl)ethanamine
CID 131378718

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene?
The IUPAC name of 1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene (CID 169242567) is 1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene.
What is the SMILES notation for 1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene?
The canonical SMILES for 1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene is CC(C)c1cc(F)ccc1F.CC(C)c1ccc(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene?
The InChIKey is LXTJKCSWFUAZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10F2/c1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)7-3-4-8(10)9(11)5-7/h2*3-6H,1-2H3.
What are the key properties of 1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene?
1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene has a molecular weight of 312.35 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene is sourced from PubChem (CID 169242567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).