2,3,3-trifluorohex-1-ene

C6H9F3 — CID 12951117

IUPAC2,3,3-trifluorohex-1-ene
SMILESC=C(F)C(F)(F)CCC
InChIInChI=1S/C6H9F3/c1-3-4-6(8,9)5(2)7/h2-4H2,1H3
InChIKeyKZNYEPRUHLBCDL-UHFFFAOYSA-N
MW138.13 g/mol
LogP2.90
Rot. Bonds3

About 2,3,3-trifluorohex-1-ene

2,3,3-trifluorohex-1-ene (PubChem CID 12951117) has the molecular formula C6H9F3 and a molecular weight of 138.13 g/mol. Its IUPAC name is 2,3,3-trifluorohex-1-ene.

Molecular Properties

Compound Name2,3,3-trifluorohex-1-ene
PubChem CID12951117
Molecular FormulaC6H9F3
Molecular Weight138.13 g/mol
Exact Mass138.07
IUPAC Name2,3,3-trifluorohex-1-ene
SMILESC=C(F)C(F)(F)CCC
InChIInChI=1S/C6H9F3/c1-3-4-6(8,9)5(2)7/h2-4H2,1H3
InChIKeyKZNYEPRUHLBCDL-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluorohex-1-ene?
The IUPAC name of 2,3,3-trifluorohex-1-ene (CID 12951117) is 2,3,3-trifluorohex-1-ene.
What is the SMILES notation for 2,3,3-trifluorohex-1-ene?
The canonical SMILES for 2,3,3-trifluorohex-1-ene is C=C(F)C(F)(F)CCC.
What is the InChIKey of 2,3,3-trifluorohex-1-ene?
The InChIKey is KZNYEPRUHLBCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3/c1-3-4-6(8,9)5(2)7/h2-4H2,1H3.
What are the key properties of 2,3,3-trifluorohex-1-ene?
2,3,3-trifluorohex-1-ene has a molecular weight of 138.13 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluorohex-1-ene is sourced from PubChem (CID 12951117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).