1,2,4-trifluorohexane

C6H11F3 — CID 54469052

IUPAC1,2,4-trifluorohexane
SMILESCCC(F)CC(F)CF
InChIInChI=1S/C6H11F3/c1-2-5(8)3-6(9)4-7/h5-6H,2-4H2,1H3
InChIKeyHGNNWODYLWZYBI-UHFFFAOYSA-N
MW140.15 g/mol
LogP2.43
Rot. Bonds4

About 1,2,4-trifluorohexane

1,2,4-trifluorohexane (PubChem CID 54469052) has the molecular formula C6H11F3 and a molecular weight of 140.15 g/mol. Its IUPAC name is 1,2,4-trifluorohexane.

Molecular Properties

Compound Name1,2,4-trifluorohexane
PubChem CID54469052
Molecular FormulaC6H11F3
Molecular Weight140.15 g/mol
Exact Mass140.08
IUPAC Name1,2,4-trifluorohexane
SMILESCCC(F)CC(F)CF
InChIInChI=1S/C6H11F3/c1-2-5(8)3-6(9)4-7/h5-6H,2-4H2,1H3
InChIKeyHGNNWODYLWZYBI-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trifluorohexane?
The IUPAC name of 1,2,4-trifluorohexane (CID 54469052) is 1,2,4-trifluorohexane.
What is the SMILES notation for 1,2,4-trifluorohexane?
The canonical SMILES for 1,2,4-trifluorohexane is CCC(F)CC(F)CF.
What is the InChIKey of 1,2,4-trifluorohexane?
The InChIKey is HGNNWODYLWZYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3/c1-2-5(8)3-6(9)4-7/h5-6H,2-4H2,1H3.
What are the key properties of 1,2,4-trifluorohexane?
1,2,4-trifluorohexane has a molecular weight of 140.15 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trifluorohexane is sourced from PubChem (CID 54469052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).