5-chloro-6-(trifluoromethyl)decane

C11H20ClF3 — CID 142730959

IUPAC5-chloro-6-(trifluoromethyl)decane
SMILESCCCCC(Cl)C(CCCC)C(F)(F)F
InChIInChI=1S/C11H20ClF3/c1-3-5-7-9(11(13,14)15)10(12)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyPCCUGYKAMUWVHD-UHFFFAOYSA-N
MW244.73 g/mol
LogP5.15
Rot. Bonds7

About 5-chloro-6-(trifluoromethyl)decane

5-chloro-6-(trifluoromethyl)decane (PubChem CID 142730959) has the molecular formula C11H20ClF3 and a molecular weight of 244.73 g/mol. Its IUPAC name is 5-chloro-6-(trifluoromethyl)decane.

Molecular Properties

Compound Name5-chloro-6-(trifluoromethyl)decane
PubChem CID142730959
Molecular FormulaC11H20ClF3
Molecular Weight244.73 g/mol
Exact Mass244.12
IUPAC Name5-chloro-6-(trifluoromethyl)decane
SMILESCCCCC(Cl)C(CCCC)C(F)(F)F
InChIInChI=1S/C11H20ClF3/c1-3-5-7-9(11(13,14)15)10(12)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyPCCUGYKAMUWVHD-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.73
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-Chloro-1,1-difluoroethyl)cyclohexane
CID 129924200
trans-(1S,2R)-1-chloro-2-(trifluoromethyl)cyclooctane
CID 164676328
1-Chloro-4-methyldodecane
CID 10867757
1-Chloro-4-methylnonane
CID 91046803
2-Chloro-1-fluoro-1-methylcyclooctane
CID 18443868
11-Chloro-1,1,1,2,2-pentafluoro-6,6-dimethylundecane
CID 20726836
2-Chloro-1-fluoro-3-methylheptane
CID 21509424
9-Chloro-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-16-methylheptadecane
CID 21661556
1-Chloro-3-(chloromethyl)-8-fluoro-4-methyloctane
CID 57111850
1-Chloro-2-(chloromethyl)-7-fluoro-3-methylheptane
CID 57114613
4-Chloro-5-ethyl-3,3,4-trifluoro-2,5-dimethylheptane
CID 87075229
1-Chloro-3-(trifluoromethyl)heptane
CID 88405576

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(trifluoromethyl)decane?
The IUPAC name of 5-chloro-6-(trifluoromethyl)decane (CID 142730959) is 5-chloro-6-(trifluoromethyl)decane.
What is the SMILES notation for 5-chloro-6-(trifluoromethyl)decane?
The canonical SMILES for 5-chloro-6-(trifluoromethyl)decane is CCCCC(Cl)C(CCCC)C(F)(F)F.
What is the InChIKey of 5-chloro-6-(trifluoromethyl)decane?
The InChIKey is PCCUGYKAMUWVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClF3/c1-3-5-7-9(11(13,14)15)10(12)8-6-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-chloro-6-(trifluoromethyl)decane?
5-chloro-6-(trifluoromethyl)decane has a molecular weight of 244.73 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(trifluoromethyl)decane is sourced from PubChem (CID 142730959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).