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

C10H10Cl2F2O — CID 118836110

IUPAC1-chloro-2-(3-chloropropyl)-3-(difluoromethoxy)benzene
SMILESFC(F)Oc1cccc(Cl)c1CCCCl
InChIInChI=1S/C10H10Cl2F2O/c11-6-2-3-7-8(12)4-1-5-9(7)15-10(13)14/h1,4-5,10H,2-3,6H2
InChIKeyULJFIHCOUKBWNN-UHFFFAOYSA-N
MW255.09 g/mol
LogP4.11
Rot. Bonds5

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

1-chloro-2-(3-chloropropyl)-3-(difluoromethoxy)benzene (PubChem CID 118836110) has the molecular formula C10H10Cl2F2O and a molecular weight of 255.09 g/mol. Its IUPAC name is 1-chloro-2-(3-chloropropyl)-3-(difluoromethoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-(3-chloropropyl)-3-(difluoromethoxy)benzene
PubChem CID118836110
Molecular FormulaC10H10Cl2F2O
Molecular Weight255.09 g/mol
Exact Mass254.01
IUPAC Name1-chloro-2-(3-chloropropyl)-3-(difluoromethoxy)benzene
SMILESFC(F)Oc1cccc(Cl)c1CCCCl
InChIInChI=1S/C10H10Cl2F2O/c11-6-2-3-7-8(12)4-1-5-9(7)15-10(13)14/h1,4-5,10H,2-3,6H2
InChIKeyULJFIHCOUKBWNN-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.09
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2-chloro-6-(difluoromethoxy)phenyl]propanal
CID 134621463
2-(3-chloropropyl)-1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 118819842
1-[2-chloro-6-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 78957726
1-chloro-3-(3-chloropropyl)-2-(difluoromethoxy)benzene
CID 118802304
2-bromo-1-(3-chloropropyl)-3-(difluoromethoxy)benzene
CID 119016478
1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 119010912
1-(difluoromethoxy)-2-ethyl-3-methylbenzene
CID 118269125
1-chloro-2-[2-chloro-2-[2-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene
CID 63518476
3-[2-(difluoromethoxy)-6-ethoxyphenyl]propanenitrile
CID 118808962
1-chloro-3-methoxy-2-pentylbenzene
CID 173336348
2-(3-bromopropyl)-1-(difluoromethoxy)-3-(trifluoromethylsulfanyl)benzene
CID 166641262
1,3-bis(difluoromethoxy)-2-methylbenzene;ethane
CID 145191188

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-chloropropyl)-3-(difluoromethoxy)benzene?
The IUPAC name of 1-chloro-2-(3-chloropropyl)-3-(difluoromethoxy)benzene (CID 118836110) is 1-chloro-2-(3-chloropropyl)-3-(difluoromethoxy)benzene.
What is the SMILES notation for 1-chloro-2-(3-chloropropyl)-3-(difluoromethoxy)benzene?
The canonical SMILES for 1-chloro-2-(3-chloropropyl)-3-(difluoromethoxy)benzene is FC(F)Oc1cccc(Cl)c1CCCCl.
What is the InChIKey of 1-chloro-2-(3-chloropropyl)-3-(difluoromethoxy)benzene?
The InChIKey is ULJFIHCOUKBWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F2O/c11-6-2-3-7-8(12)4-1-5-9(7)15-10(13)14/h1,4-5,10H,2-3,6H2.
What are the key properties of 1-chloro-2-(3-chloropropyl)-3-(difluoromethoxy)benzene?
1-chloro-2-(3-chloropropyl)-3-(difluoromethoxy)benzene has a molecular weight of 255.09 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3-chloropropyl)-3-(difluoromethoxy)benzene is sourced from PubChem (CID 118836110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).