1,1-dichloro-6-fluorooctane

C8H15Cl2F — CID 88501273

IUPAC1,1-dichloro-6-fluorooctane
SMILESCCC(F)CCCCC(Cl)Cl
InChIInChI=1S/C8H15Cl2F/c1-2-7(11)5-3-4-6-8(9)10/h7-8H,2-6H2,1H3
InChIKeyOTWVVECPXPTTSC-UHFFFAOYSA-N
MW201.11 g/mol
LogP4.10
Rot. Bonds6

About 1,1-dichloro-6-fluorooctane

1,1-dichloro-6-fluorooctane (PubChem CID 88501273) has the molecular formula C8H15Cl2F and a molecular weight of 201.11 g/mol. Its IUPAC name is 1,1-dichloro-6-fluorooctane.

Molecular Properties

Compound Name1,1-dichloro-6-fluorooctane
PubChem CID88501273
Molecular FormulaC8H15Cl2F
Molecular Weight201.11 g/mol
Exact Mass200.05
IUPAC Name1,1-dichloro-6-fluorooctane
SMILESCCC(F)CCCCC(Cl)Cl
InChIInChI=1S/C8H15Cl2F/c1-2-7(11)5-3-4-6-8(9)10/h7-8H,2-6H2,1H3
InChIKeyOTWVVECPXPTTSC-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.11
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1-dichloro-6-fluorooctane 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

1,7-difluorononane
CID 168864708
1,1,6,6-tetrachlorohexane
CID 87407260
1,1-dichloroheptane
CID 13184
3-fluorohexane;fluoromethane
CID 171506304
1,1-dichloropentane;gallane
CID 174452216
4-fluoro-1-(4-fluorohexylsulfinyl)hexane
CID 87925507
(2R)-2,9-difluoro-3-nitroundecane
CID 89275236
1,1-dichloro-4-fluorobutane
CID 22321169
5-fluorononane
CID 14113820
4-fluorononane
CID 15062450
butan-1-ol;1,1-dichloroheptane
CID 88631006
10,10-dichlorodecyl(2-methylbutyl)silane
CID 71352918

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-6-fluorooctane?
The IUPAC name of 1,1-dichloro-6-fluorooctane (CID 88501273) is 1,1-dichloro-6-fluorooctane.
What is the SMILES notation for 1,1-dichloro-6-fluorooctane?
The canonical SMILES for 1,1-dichloro-6-fluorooctane is CCC(F)CCCCC(Cl)Cl.
What is the InChIKey of 1,1-dichloro-6-fluorooctane?
The InChIKey is OTWVVECPXPTTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2F/c1-2-7(11)5-3-4-6-8(9)10/h7-8H,2-6H2,1H3.
What are the key properties of 1,1-dichloro-6-fluorooctane?
1,1-dichloro-6-fluorooctane has a molecular weight of 201.11 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-6-fluorooctane is sourced from PubChem (CID 88501273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).