3-chloro-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pent-2-ene

C7H7ClF6 — CID 23384884

IUPAC3-chloro-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pent-2-ene
SMILESCC(C)C(Cl)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7ClF6/c1-3(2)4(8)5(6(9,10)11)7(12,13)14/h3H,1-2H3
InChIKeyHEXFXEOHPBJKAB-UHFFFAOYSA-N
MW240.57 g/mol
LogP4.26
Rot. Bonds1

About 3-chloro-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pent-2-ene

3-chloro-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pent-2-ene (PubChem CID 23384884) has the molecular formula C7H7ClF6 and a molecular weight of 240.57 g/mol. Its IUPAC name is 3-chloro-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name3-chloro-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pent-2-ene
PubChem CID23384884
Molecular FormulaC7H7ClF6
Molecular Weight240.57 g/mol
Exact Mass240.01
IUPAC Name3-chloro-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pent-2-ene
SMILESCC(C)C(Cl)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7ClF6/c1-3(2)4(8)5(6(9,10)11)7(12,13)14/h3H,1-2H3
InChIKeyHEXFXEOHPBJKAB-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.57
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pent-2-ene?
The IUPAC name of 3-chloro-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pent-2-ene (CID 23384884) is 3-chloro-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 3-chloro-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 3-chloro-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pent-2-ene is CC(C)C(Cl)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-chloro-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pent-2-ene?
The InChIKey is HEXFXEOHPBJKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF6/c1-3(2)4(8)5(6(9,10)11)7(12,13)14/h3H,1-2H3.
What are the key properties of 3-chloro-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pent-2-ene?
3-chloro-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pent-2-ene has a molecular weight of 240.57 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 23384884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).