1-(4-chlorobutoxy)-3,5-difluorobenzene

C10H11ClF2O — CID 62785225

IUPAC1-(4-chlorobutoxy)-3,5-difluorobenzene
SMILESFc1cc(F)cc(OCCCCCl)c1
InChIInChI=1S/C10H11ClF2O/c11-3-1-2-4-14-10-6-8(12)5-9(13)7-10/h5-7H,1-4H2
InChIKeyLADUHWYOCBUXGY-UHFFFAOYSA-N
MW220.65 g/mol
LogP3.36
Rot. Bonds5

About 1-(4-chlorobutoxy)-3,5-difluorobenzene

1-(4-chlorobutoxy)-3,5-difluorobenzene (PubChem CID 62785225) has the molecular formula C10H11ClF2O and a molecular weight of 220.65 g/mol. Its IUPAC name is 1-(4-chlorobutoxy)-3,5-difluorobenzene.

Molecular Properties

Compound Name1-(4-chlorobutoxy)-3,5-difluorobenzene
PubChem CID62785225
Molecular FormulaC10H11ClF2O
Molecular Weight220.65 g/mol
Exact Mass220.05
IUPAC Name1-(4-chlorobutoxy)-3,5-difluorobenzene
SMILESFc1cc(F)cc(OCCCCCl)c1
InChIInChI=1S/C10H11ClF2O/c11-3-1-2-4-14-10-6-8(12)5-9(13)7-10/h5-7H,1-4H2
InChIKeyLADUHWYOCBUXGY-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 53.36
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'}

Analyze 1-(4-chlorobutoxy)-3,5-difluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dichloro-5-(5-chloropentoxy)benzene
CID 43621927
2-(3,5-difluorophenoxy)ethanamine;hydrochloride
CID 66980622
4-(3-chloropropoxy)-2,6-difluoropyridine
CID 122669776
3-(3,5-difluorophenoxy)propanenitrile
CID 62784661
3-fluoro-5-pentoxybenzenethiol
CID 91655201
1-bromo-3-fluoro-5-pentoxybenzene
CID 79015676
5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 62784161
4-(chloromethyl)-2-[3-(3,5-difluorophenoxy)propyl]-1,3-thiazole
CID 62785809
N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62783978
N-[2-(3,5-difluorophenoxy)ethyl]-4-fluoroaniline
CID 62785083
2-(3,5-difluorophenoxy)acetyl chloride
CID 168917412
5-(3,5-difluorophenoxy)-2,2-dimethylpentanoic acid
CID 65259869

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobutoxy)-3,5-difluorobenzene?
The IUPAC name of 1-(4-chlorobutoxy)-3,5-difluorobenzene (CID 62785225) is 1-(4-chlorobutoxy)-3,5-difluorobenzene.
What is the SMILES notation for 1-(4-chlorobutoxy)-3,5-difluorobenzene?
The canonical SMILES for 1-(4-chlorobutoxy)-3,5-difluorobenzene is Fc1cc(F)cc(OCCCCCl)c1.
What is the InChIKey of 1-(4-chlorobutoxy)-3,5-difluorobenzene?
The InChIKey is LADUHWYOCBUXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O/c11-3-1-2-4-14-10-6-8(12)5-9(13)7-10/h5-7H,1-4H2.
What are the key properties of 1-(4-chlorobutoxy)-3,5-difluorobenzene?
1-(4-chlorobutoxy)-3,5-difluorobenzene has a molecular weight of 220.65 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobutoxy)-3,5-difluorobenzene is sourced from PubChem (CID 62785225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).