3-ethyl-2,2,4-trifluorohept-3-ene

C9H15F3 — CID 174850777

IUPAC3-ethyl-2,2,4-trifluorohept-3-ene
SMILESCCCC(F)=C(CC)C(C)(F)F
InChIInChI=1S/C9H15F3/c1-4-6-8(10)7(5-2)9(3,11)12/h4-6H2,1-3H3
InChIKeyVJYSFRCRGACZQU-UHFFFAOYSA-N
MW180.21 g/mol
LogP4.08
Rot. Bonds4

About 3-ethyl-2,2,4-trifluorohept-3-ene

3-ethyl-2,2,4-trifluorohept-3-ene (PubChem CID 174850777) has the molecular formula C9H15F3 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-ethyl-2,2,4-trifluorohept-3-ene.

Molecular Properties

Compound Name3-ethyl-2,2,4-trifluorohept-3-ene
PubChem CID174850777
Molecular FormulaC9H15F3
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC Name3-ethyl-2,2,4-trifluorohept-3-ene
SMILESCCCC(F)=C(CC)C(C)(F)F
InChIInChI=1S/C9H15F3/c1-4-6-8(10)7(5-2)9(3,11)12/h4-6H2,1-3H3
InChIKeyVJYSFRCRGACZQU-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2,4-trifluorohept-3-ene?
The IUPAC name of 3-ethyl-2,2,4-trifluorohept-3-ene (CID 174850777) is 3-ethyl-2,2,4-trifluorohept-3-ene.
What is the SMILES notation for 3-ethyl-2,2,4-trifluorohept-3-ene?
The canonical SMILES for 3-ethyl-2,2,4-trifluorohept-3-ene is CCCC(F)=C(CC)C(C)(F)F.
What is the InChIKey of 3-ethyl-2,2,4-trifluorohept-3-ene?
The InChIKey is VJYSFRCRGACZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3/c1-4-6-8(10)7(5-2)9(3,11)12/h4-6H2,1-3H3.
What are the key properties of 3-ethyl-2,2,4-trifluorohept-3-ene?
3-ethyl-2,2,4-trifluorohept-3-ene has a molecular weight of 180.21 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2,4-trifluorohept-3-ene is sourced from PubChem (CID 174850777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).