1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene

C18H22F2 — CID 142619268

IUPAC1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(F)cc1.CC(C)c1ccccc1F
InChIInChI=1S/2C9H11F/c1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10/h2*3-7H,1-2H3
InChIKeyIWCOYIOZTGLXQJ-UHFFFAOYSA-N
MW276.37 g/mol
LogP5.90
Rot. Bonds2

About 1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene

1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene (PubChem CID 142619268) has the molecular formula C18H22F2 and a molecular weight of 276.37 g/mol. Its IUPAC name is 1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
PubChem CID142619268
Molecular FormulaC18H22F2
Molecular Weight276.37 g/mol
Exact Mass276.17
IUPAC Name1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(F)cc1.CC(C)c1ccccc1F
InChIInChI=1S/2C9H11F/c1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10/h2*3-7H,1-2H3
InChIKeyIWCOYIOZTGLXQJ-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.37
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696
cumene;2,4-difluoro-1-propan-2-ylbenzene
CID 156717467
4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene
CID 167660923
deuterium monohydride;1-fluoro-4-propan-2-ylbenzene
CID 167565011
cumene;1-fluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 159517026
1-fluoro-2-[(4-fluorophenyl)-methoxymethyl]benzene
CID 90917681
4-fluoro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]aniline
CID 102369575
1-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 43685494
1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 157456603
1-fluoro-2-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene
CID 3028250
1-fluoro-2-propan-2-ylbenzene;3-propan-2-yl-1H-pyridin-2-one
CID 161316571
1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63083908

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene?
The IUPAC name of 1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene (CID 142619268) is 1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene.
What is the SMILES notation for 1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene?
The canonical SMILES for 1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene is CC(C)c1ccc(F)cc1.CC(C)c1ccccc1F.
What is the InChIKey of 1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene?
The InChIKey is IWCOYIOZTGLXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11F/c1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10/h2*3-7H,1-2H3.
What are the key properties of 1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene?
1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene has a molecular weight of 276.37 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene is sourced from PubChem (CID 142619268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).