1-(2-chloropropyl)-3,5-difluorobenzene

C9H9ClF2 — CID 126973917

IUPAC1-(2-chloropropyl)-3,5-difluorobenzene
SMILESCC(Cl)Cc1cc(F)cc(F)c1
InChIInChI=1S/C9H9ClF2/c1-6(10)2-7-3-8(11)5-9(12)4-7/h3-6H,2H2,1H3
InChIKeyDEGFQMZWZWIFEA-UHFFFAOYSA-N
MW190.62 g/mol
LogP3.13
Rot. Bonds2

About 1-(2-chloropropyl)-3,5-difluorobenzene

1-(2-chloropropyl)-3,5-difluorobenzene (PubChem CID 126973917) has the molecular formula C9H9ClF2 and a molecular weight of 190.62 g/mol. Its IUPAC name is 1-(2-chloropropyl)-3,5-difluorobenzene.

Molecular Properties

Compound Name1-(2-chloropropyl)-3,5-difluorobenzene
PubChem CID126973917
Molecular FormulaC9H9ClF2
Molecular Weight190.62 g/mol
Exact Mass190.04
IUPAC Name1-(2-chloropropyl)-3,5-difluorobenzene
SMILESCC(Cl)Cc1cc(F)cc(F)c1
InChIInChI=1S/C9H9ClF2/c1-6(10)2-7-3-8(11)5-9(12)4-7/h3-6H,2H2,1H3
InChIKeyDEGFQMZWZWIFEA-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.62
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-difluorophenyl)-3-methylbutan-2-amine
CID 105404517
1-(3,5-difluorophenyl)-2-methylpentan-3-ol
CID 105407726
3-(3,5-difluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 64666039
1-(3,5-difluorophenyl)-2-methylpentan-3-amine
CID 105404557
(2R)-1-(3,5-difluorophenyl)propane-2-sulfonic acid
CID 165179665
2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol
CID 105410776
4-(3,5-difluorophenyl)-3-methylbutanoic acid
CID 105411374
2-[(3,5-difluorophenyl)methyl]propane-1,3-diol
CID 105411055
[1-(3,5-difluorophenyl)-3,4-dimethylpentan-2-yl]hydrazine
CID 105413151
2-[(3,5-difluorophenyl)methyl]butan-1-ol
CID 105410784
(2S)-4-chloro-1-(3,5-difluorophenyl)butan-2-amine
CID 89258105
5-(3,5-difluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 105409747

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropropyl)-3,5-difluorobenzene?
The IUPAC name of 1-(2-chloropropyl)-3,5-difluorobenzene (CID 126973917) is 1-(2-chloropropyl)-3,5-difluorobenzene.
What is the SMILES notation for 1-(2-chloropropyl)-3,5-difluorobenzene?
The canonical SMILES for 1-(2-chloropropyl)-3,5-difluorobenzene is CC(Cl)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(2-chloropropyl)-3,5-difluorobenzene?
The InChIKey is DEGFQMZWZWIFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2/c1-6(10)2-7-3-8(11)5-9(12)4-7/h3-6H,2H2,1H3.
What are the key properties of 1-(2-chloropropyl)-3,5-difluorobenzene?
1-(2-chloropropyl)-3,5-difluorobenzene has a molecular weight of 190.62 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropropyl)-3,5-difluorobenzene is sourced from PubChem (CID 126973917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).