1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene

C9H9F3 — CID 126565772

IUPAC1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene
SMILESC[C@@H](c1ccccc1F)C(F)F
InChIInChI=1S/C9H9F3/c1-6(9(11)12)7-4-2-3-5-8(7)10/h2-6,9H,1H3/t6-/m0/s1
InChIKeyFKFXQBLXRBJRFI-LURJTMIESA-N
MW174.16 g/mol
LogP3.19
Rot. Bonds2

About 1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene

1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene (PubChem CID 126565772) has the molecular formula C9H9F3 and a molecular weight of 174.16 g/mol. Its IUPAC name is 1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene
PubChem CID126565772
Molecular FormulaC9H9F3
Molecular Weight174.16 g/mol
Exact Mass174.07
IUPAC Name1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene
SMILESC[C@@H](c1ccccc1F)C(F)F
InChIInChI=1S/C9H9F3/c1-6(9(11)12)7-4-2-3-5-8(7)10/h2-6,9H,1H3/t6-/m0/s1
InChIKeyFKFXQBLXRBJRFI-LURJTMIESA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
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1-(3-bromohexan-2-yl)-2-fluorobenzene
CID 83051782
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1-(1-cyclopropylethyl)-2-fluorobenzene
CID 126566249
N-ethyl-2-(2-fluorophenyl)hexan-3-amine
CID 83051211
1-fluoro-2-(1-methyltellanylethyl)benzene
CID 174555913
(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene?
The IUPAC name of 1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene (CID 126565772) is 1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene.
What is the SMILES notation for 1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene?
The canonical SMILES for 1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene is C[C@@H](c1ccccc1F)C(F)F.
What is the InChIKey of 1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene?
The InChIKey is FKFXQBLXRBJRFI-LURJTMIESA-N. The full InChI is InChI=1S/C9H9F3/c1-6(9(11)12)7-4-2-3-5-8(7)10/h2-6,9H,1H3/t6-/m0/s1.
What are the key properties of 1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene?
1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene has a molecular weight of 174.16 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene is sourced from PubChem (CID 126565772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).