2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene

C11H10ClF5O — CID 118819842

IUPAC2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene
SMILESFC(F)Oc1cccc(C(F)(F)F)c1CCCCl
InChIInChI=1S/C11H10ClF5O/c12-6-2-3-7-8(11(15,16)17)4-1-5-9(7)18-10(13)14/h1,4-5,10H,2-3,6H2
InChIKeyAWFLTXZQWRYXOV-UHFFFAOYSA-N
MW288.64 g/mol
LogP4.48
Rot. Bonds5

About 2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene

2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene (PubChem CID 118819842) has the molecular formula C11H10ClF5O and a molecular weight of 288.64 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene
PubChem CID118819842
Molecular FormulaC11H10ClF5O
Molecular Weight288.64 g/mol
Exact Mass288.03
IUPAC Name2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene
SMILESFC(F)Oc1cccc(C(F)(F)F)c1CCCCl
InChIInChI=1S/C11H10ClF5O/c12-6-2-3-7-8(11(15,16)17)4-1-5-9(7)18-10(13)14/h1,4-5,10H,2-3,6H2
InChIKeyAWFLTXZQWRYXOV-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.64
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene?
The IUPAC name of 2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene (CID 118819842) is 2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene is FC(F)Oc1cccc(C(F)(F)F)c1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene?
The InChIKey is AWFLTXZQWRYXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF5O/c12-6-2-3-7-8(11(15,16)17)4-1-5-9(7)18-10(13)14/h1,4-5,10H,2-3,6H2.
What are the key properties of 2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene?
2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene has a molecular weight of 288.64 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 118819842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).