2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene

C11H14F2 — CID 121459140

IUPAC2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene
SMILESCC(C)[C@@H](C)c1ccc(F)cc1F
InChIInChI=1S/C11H14F2/c1-7(2)8(3)10-5-4-9(12)6-11(10)13/h4-8H,1-3H3/t8-/m1/s1
InChIKeyFSTMIHKXXHQPEG-MRVPVSSYSA-N
MW184.23 g/mol
LogP3.72
Rot. Bonds2

About 2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene

2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene (PubChem CID 121459140) has the molecular formula C11H14F2 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene.

Molecular Properties

Compound Name2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene
PubChem CID121459140
Molecular FormulaC11H14F2
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene
SMILESCC(C)[C@@H](C)c1ccc(F)cc1F
InChIInChI=1S/C11H14F2/c1-7(2)8(3)10-5-4-9(12)6-11(10)13/h4-8H,1-3H3/t8-/m1/s1
InChIKeyFSTMIHKXXHQPEG-MRVPVSSYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,4-difluorophenyl)-N,4-dimethylpentan-3-amine
CID 79298293
2-amino-3-(2,4-difluorophenyl)butan-1-ol
CID 83908387
3-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 79729834
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
[(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride
CID 89251980
1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine
CID 89477372
1-(2,4-difluorophenyl)propane-1,2-diamine
CID 20546527
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
(2,4-difluorophenyl)methanediol
CID 91089962
(2,4-difluorophenyl)methanediamine
CID 116939170
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene?
The IUPAC name of 2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene (CID 121459140) is 2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene.
What is the SMILES notation for 2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene?
The canonical SMILES for 2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene is CC(C)[C@@H](C)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene?
The InChIKey is FSTMIHKXXHQPEG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14F2/c1-7(2)8(3)10-5-4-9(12)6-11(10)13/h4-8H,1-3H3/t8-/m1/s1.
What are the key properties of 2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene?
2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene has a molecular weight of 184.23 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene is sourced from PubChem (CID 121459140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).