6-chloro-4-ethyl-1,1,1-trifluorohexane

C8H14ClF3 — CID 174468654

IUPAC6-chloro-4-ethyl-1,1,1-trifluorohexane
SMILESCCC(CCCl)CCC(F)(F)F
InChIInChI=1S/C8H14ClF3/c1-2-7(4-6-9)3-5-8(10,11)12/h7H,2-6H2,1H3
InChIKeyRIFRZEXXFUNFIS-UHFFFAOYSA-N
MW202.65 g/mol
LogP3.98
Rot. Bonds5

About 6-chloro-4-ethyl-1,1,1-trifluorohexane

6-chloro-4-ethyl-1,1,1-trifluorohexane (PubChem CID 174468654) has the molecular formula C8H14ClF3 and a molecular weight of 202.65 g/mol. Its IUPAC name is 6-chloro-4-ethyl-1,1,1-trifluorohexane.

Molecular Properties

Compound Name6-chloro-4-ethyl-1,1,1-trifluorohexane
PubChem CID174468654
Molecular FormulaC8H14ClF3
Molecular Weight202.65 g/mol
Exact Mass202.07
IUPAC Name6-chloro-4-ethyl-1,1,1-trifluorohexane
SMILESCCC(CCCl)CCC(F)(F)F
InChIInChI=1S/C8H14ClF3/c1-2-7(4-6-9)3-5-8(10,11)12/h7H,2-6H2,1H3
InChIKeyRIFRZEXXFUNFIS-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.65
LogP ≤ 53.98
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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-ethyl-1,1,1-trifluorohexane?
The IUPAC name of 6-chloro-4-ethyl-1,1,1-trifluorohexane (CID 174468654) is 6-chloro-4-ethyl-1,1,1-trifluorohexane.
What is the SMILES notation for 6-chloro-4-ethyl-1,1,1-trifluorohexane?
The canonical SMILES for 6-chloro-4-ethyl-1,1,1-trifluorohexane is CCC(CCCl)CCC(F)(F)F.
What is the InChIKey of 6-chloro-4-ethyl-1,1,1-trifluorohexane?
The InChIKey is RIFRZEXXFUNFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF3/c1-2-7(4-6-9)3-5-8(10,11)12/h7H,2-6H2,1H3.
What are the key properties of 6-chloro-4-ethyl-1,1,1-trifluorohexane?
6-chloro-4-ethyl-1,1,1-trifluorohexane has a molecular weight of 202.65 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethyl-1,1,1-trifluorohexane is sourced from PubChem (CID 174468654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).