1,3-difluoro-2-pentan-3-ylbenzene

C11H14F2 — CID 123525738

IUPAC1,3-difluoro-2-pentan-3-ylbenzene
SMILESCCC(CC)c1c(F)cccc1F
InChIInChI=1S/C11H14F2/c1-3-8(4-2)11-9(12)6-5-7-10(11)13/h5-8H,3-4H2,1-2H3
InChIKeyNARNYBYTWMGTGU-UHFFFAOYSA-N
MW184.23 g/mol
LogP3.87
Rot. Bonds3

About 1,3-difluoro-2-pentan-3-ylbenzene

1,3-difluoro-2-pentan-3-ylbenzene (PubChem CID 123525738) has the molecular formula C11H14F2 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1,3-difluoro-2-pentan-3-ylbenzene.

Molecular Properties

Compound Name1,3-difluoro-2-pentan-3-ylbenzene
PubChem CID123525738
Molecular FormulaC11H14F2
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1,3-difluoro-2-pentan-3-ylbenzene
SMILESCCC(CC)c1c(F)cccc1F
InChIInChI=1S/C11H14F2/c1-3-8(4-2)11-9(12)6-5-7-10(11)13/h5-8H,3-4H2,1-2H3
InChIKeyNARNYBYTWMGTGU-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-(2,3-difluorophenyl)butan-1-amine
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1-(2,6-difluorophenyl)butan-1-amine;hydrochloride
CID 86262880
1-(2,6-difluorophenyl)ethanol
CID 5012075
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
[3-fluoro-2-(1-fluoroethyl)phenyl]methanamine
CID 84654036
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171227313
2-[3-fluoro-2-(1-fluoroethyl)phenyl]propan-1-ol
CID 117289376
N-[(2,6-difluorophenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 79522408
2-butan-2-yl-1-ethenylsulfanyl-3-fluorobenzene
CID 169167234

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-pentan-3-ylbenzene?
The IUPAC name of 1,3-difluoro-2-pentan-3-ylbenzene (CID 123525738) is 1,3-difluoro-2-pentan-3-ylbenzene.
What is the SMILES notation for 1,3-difluoro-2-pentan-3-ylbenzene?
The canonical SMILES for 1,3-difluoro-2-pentan-3-ylbenzene is CCC(CC)c1c(F)cccc1F.
What is the InChIKey of 1,3-difluoro-2-pentan-3-ylbenzene?
The InChIKey is NARNYBYTWMGTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2/c1-3-8(4-2)11-9(12)6-5-7-10(11)13/h5-8H,3-4H2,1-2H3.
What are the key properties of 1,3-difluoro-2-pentan-3-ylbenzene?
1,3-difluoro-2-pentan-3-ylbenzene has a molecular weight of 184.23 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-pentan-3-ylbenzene is sourced from PubChem (CID 123525738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).