1,3-difluoro-2-methylbenzene;2-methylpropane

C11H16F2 — CID 159186577

IUPAC1,3-difluoro-2-methylbenzene;2-methylpropane
SMILESCC(C)C.Cc1c(F)cccc1F
InChIInChI=1S/C7H6F2.C4H10/c1-5-6(8)3-2-4-7(5)9;1-4(2)3/h2-4H,1H3;4H,1-3H3
InChIKeyKNOHOCINKJGXBM-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.94
Rot. Bonds

About 1,3-difluoro-2-methylbenzene;2-methylpropane

1,3-difluoro-2-methylbenzene;2-methylpropane (PubChem CID 159186577) has the molecular formula C11H16F2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1,3-difluoro-2-methylbenzene;2-methylpropane.

Molecular Properties

Compound Name1,3-difluoro-2-methylbenzene;2-methylpropane
PubChem CID159186577
Molecular FormulaC11H16F2
Molecular Weight186.25 g/mol
Exact Mass186.12
IUPAC Name1,3-difluoro-2-methylbenzene;2-methylpropane
SMILESCC(C)C.Cc1c(F)cccc1F
InChIInChI=1S/C7H6F2.C4H10/c1-5-6(8)3-2-4-7(5)9;1-4(2)3/h2-4H,1H3;4H,1-3H3
InChIKeyKNOHOCINKJGXBM-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-2-methylbenzene;ethane;1,2-xylene
CID 142353819
1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene
CID 143240223
N-chloro-1-(3-fluoro-2-methylphenyl)ethanamine
CID 123216926
(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 55253692
1-[(2R)-butan-2-yl]-3-fluoro-2-methylbenzene
CID 139403065
(2R)-1-(3-fluoro-2-methylphenyl)propan-2-amine
CID 130795022
1-fluoro-2,3-dimethylbenzene;formonitrile
CID 144500110
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684
(1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine
CID 130700725
1-ethyl-3-fluoro-2-methylbenzene
CID 18711825
zinc;1-fluoro-3-methanidyl-2-methylbenzene;chloride
CID 57372146
ethane;1-ethoxy-3-fluoro-2-methylbenzene
CID 143520005

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methylbenzene;2-methylpropane?
The IUPAC name of 1,3-difluoro-2-methylbenzene;2-methylpropane (CID 159186577) is 1,3-difluoro-2-methylbenzene;2-methylpropane.
What is the SMILES notation for 1,3-difluoro-2-methylbenzene;2-methylpropane?
The canonical SMILES for 1,3-difluoro-2-methylbenzene;2-methylpropane is CC(C)C.Cc1c(F)cccc1F.
What is the InChIKey of 1,3-difluoro-2-methylbenzene;2-methylpropane?
The InChIKey is KNOHOCINKJGXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2.C4H10/c1-5-6(8)3-2-4-7(5)9;1-4(2)3/h2-4H,1H3;4H,1-3H3.
What are the key properties of 1,3-difluoro-2-methylbenzene;2-methylpropane?
1,3-difluoro-2-methylbenzene;2-methylpropane has a molecular weight of 186.25 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-methylbenzene;2-methylpropane is sourced from PubChem (CID 159186577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).