1,2-dichloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]benzene

C11H11Cl3F2O — CID 103210698

IUPAC1,2-dichloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]benzene
SMILESFC(F)COCCC(Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl3F2O/c12-8(3-4-17-6-11(15)16)7-1-2-9(13)10(14)5-7/h1-2,5,8,11H,3-4,6H2
InChIKeyHLMHWCWEQXLMRN-UHFFFAOYSA-N
MW303.56 g/mol
LogP4.95
Rot. Bonds6

About 1,2-dichloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]benzene

1,2-dichloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]benzene (PubChem CID 103210698) has the molecular formula C11H11Cl3F2O and a molecular weight of 303.56 g/mol. Its IUPAC name is 1,2-dichloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]benzene
PubChem CID103210698
Molecular FormulaC11H11Cl3F2O
Molecular Weight303.56 g/mol
Exact Mass301.98
IUPAC Name1,2-dichloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]benzene
SMILESFC(F)COCCC(Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl3F2O/c12-8(3-4-17-6-11(15)16)7-1-2-9(13)10(14)5-7/h1-2,5,8,11H,3-4,6H2
InChIKeyHLMHWCWEQXLMRN-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.56
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[1-chloro-3-(2,2-difluoroethoxy)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 103211053
1-chloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]-2,5-dimethylbenzene
CID 103211133
4-chloro-4-(3,4-dichlorophenyl)butan-1-ol
CID 82366996
1-bromo-2-chloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]-5-fluorobenzene
CID 103211447
1-(3,4-dichlorophenyl)-2-propoxyethanol
CID 62539379
(1S)-1-(3,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131260292
1-(4-bromophenyl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103207036
[1-(3-chlorophenyl)-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 103151942
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine
CID 103149707
3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)propan-1-amine
CID 103148805
1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene
CID 63436363
1-(5-chloro-2-fluorophenyl)-4-(2,2-difluoroethoxy)butan-2-amine
CID 103148864

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]benzene?
The IUPAC name of 1,2-dichloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]benzene (CID 103210698) is 1,2-dichloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]benzene is FC(F)COCCC(Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]benzene?
The InChIKey is HLMHWCWEQXLMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3F2O/c12-8(3-4-17-6-11(15)16)7-1-2-9(13)10(14)5-7/h1-2,5,8,11H,3-4,6H2.
What are the key properties of 1,2-dichloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]benzene?
1,2-dichloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]benzene has a molecular weight of 303.56 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]benzene is sourced from PubChem (CID 103210698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).